2025-06-01T03:26:52,982 Created temporary directory: /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:26:52,984 Initialized build tracking at /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:26:52,984 Created build tracker: /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:26:52,985 Entered build tracker: /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:26:52,985 Created temporary directory: /tmp/pip-wheel-luy5f98w
2025-06-01T03:26:52,990 Created temporary directory: /tmp/pip-ephem-wheel-cache-kb0st3qv
2025-06-01T03:26:53,036 Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-06-01T03:26:53,039 2 location(s) to search for versions of xcbm:
2025-06-01T03:26:53,039 * https://pypi.org/simple/xcbm/
2025-06-01T03:26:53,039 * https://www.piwheels.org/simple/xcbm/
2025-06-01T03:26:53,040 Fetching project page and analyzing links: https://pypi.org/simple/xcbm/
2025-06-01T03:26:53,040 Getting page https://pypi.org/simple/xcbm/
2025-06-01T03:26:53,042 Found index url https://pypi.org/simple/
2025-06-01T03:26:53,188 Fetched page https://pypi.org/simple/xcbm/ as application/vnd.pypi.simple.v1+json
2025-06-01T03:26:53,191   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)
2025-06-01T03:26:53,192   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
2025-06-01T03:26:53,192   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)
2025-06-01T03:26:53,193   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
2025-06-01T03:26:53,194   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)
2025-06-01T03:26:53,194   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
2025-06-01T03:26:53,195   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)
2025-06-01T03:26:53,196   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
2025-06-01T03:26:53,197   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)
2025-06-01T03:26:53,197   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
2025-06-01T03:26:53,198   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)
2025-06-01T03:26:53,198   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
2025-06-01T03:26:53,199   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)
2025-06-01T03:26:53,200   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
2025-06-01T03:26:53,201 Fetching project page and analyzing links: https://www.piwheels.org/simple/xcbm/
2025-06-01T03:26:53,202 Getting page https://www.piwheels.org/simple/xcbm/
2025-06-01T03:26:53,203 Found index url https://www.piwheels.org/simple/
2025-06-01T03:26:53,352 WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/xcbm/
2025-06-01T03:26:54,004 WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/xcbm/
2025-06-01T03:26:55,157 WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/xcbm/
2025-06-01T03:26:57,370 WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/xcbm/
2025-06-01T03:27:01,588 WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/xcbm/
2025-06-01T03:27:01,808 Could not fetch URL https://www.piwheels.org/simple/xcbm/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='www.piwheels.org', port=443): Max retries exceeded with url: /simple/xcbm/ (Caused by SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))) - skipping
2025-06-01T03:27:01,810 Skipping link: not a file: https://www.piwheels.org/simple/xcbm/
2025-06-01T03:27:01,811 Skipping link: not a file: https://pypi.org/simple/xcbm/
2025-06-01T03:27:01,828 Given no hashes to check 1 links for project 'xcbm': discarding no candidates
2025-06-01T03:27:01,830 Collecting xcbm==0.1.3
2025-06-01T03:27:01,833   Created temporary directory: /tmp/pip-unpack-zfw8td0i
2025-06-01T03:27:02,274   Downloading xcbm-0.1.3.tar.gz (1.3 MB)
2025-06-01T03:27:12,984   Added xcbm==0.1.3 from https://files.pythonhosted.org/packages/de/cc/c8df8c89d17143a3deb8acc78ffdfd5314f929265ffc9f7341be143b9594/xcbm-0.1.3.tar.gz to build tracker '/tmp/pip-build-tracker-80xy11vf'
2025-06-01T03:27:12,988   Created temporary directory: /tmp/pip-build-env-a38v53fu
2025-06-01T03:27:12,992   Installing build dependencies: started
2025-06-01T03:27:12,994   Running command pip subprocess to install build dependencies
2025-06-01T03:27:14,086   Using pip 25.2 from /usr/local/lib/python3.11/dist-packages/pip (python 3.11)
2025-06-01T03:27:14,086   Non-user install by explicit request
2025-06-01T03:27:14,733   Created build tracker: /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:27:14,734   Entered build tracker: /tmp/pip-build-tracker-80xy11vf
2025-06-01T03:27:14,737   Created temporary directory: /tmp/pip-install-23clreqw
2025-06-01T03:27:14,741   Created temporary directory: /tmp/pip-ephem-wheel-cache-5xlvhz5_
2025-06-01T03:27:14,785   Looking in indexes: https://pypi.org/simple, https://www.piwheels.org/simple
2025-06-01T03:27:14,788   2 location(s) to search for versions of setuptools:
2025-06-01T03:27:14,788   * https://pypi.org/simple/setuptools/
2025-06-01T03:27:14,789   * https://www.piwheels.org/simple/setuptools/
2025-06-01T03:27:14,789   Fetching project page and analyzing links: https://pypi.org/simple/setuptools/
2025-06-01T03:27:14,790   Getting page https://pypi.org/simple/setuptools/
2025-06-01T03:27:14,792   Found index url https://pypi.org/simple/
2025-06-01T03:27:14,794   Looking up "https://pypi.org/simple/setuptools/" in the cache
2025-06-01T03:27:14,794   Request header has "max_age" as 0, cache bypassed
2025-06-01T03:27:14,800   Starting new HTTPS connection (1): pypi.org:443
2025-06-01T03:27:14,940   https://pypi.org:443 "GET /simple/setuptools/ HTTP/1.1" 304 0
2025-06-01T03:27:14,968   Fetched page https://pypi.org/simple/setuptools/ as application/vnd.pypi.simple.v1+json
2025-06-01T03:27:15,155     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/)
2025-06-01T03:27:15,155     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/)
2025-06-01T03:27:15,156     Found link https://files.pythonhosted.org/packages/82/cb/906d051fdf1c8b7703d288d3cc44ff32746090378f7f8539c8476a21ce9a/setuptools-0.6b1.zip (from https://pypi.org/simple/setuptools/), version: 0.6b1
2025-06-01T03:27:15,157     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/)
2025-06-01T03:27:15,158     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/)
2025-06-01T03:27:15,159     Found link https://files.pythonhosted.org/packages/0e/3b/53daeaf6623a2bab3d3c40b19a35ff5bd7c4e1fbad2f537a61c1fe8c5069/setuptools-0.6b2.zip (from https://pypi.org/simple/setuptools/), version: 0.6b2
2025-06-01T03:27:15,160     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/)
2025-06-01T03:27:15,160     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/)
2025-06-01T03:27:15,161     Found link https://files.pythonhosted.org/packages/ff/33/635de67bf3010651ba8db9d8064721274bfb6fbb778a110089f34beabaf2/setuptools-0.6b3.zip (from https://pypi.org/simple/setuptools/), version: 0.6b3
2025-06-01T03:27:15,162     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/)
2025-06-01T03:27:15,163     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/)
2025-06-01T03:27:15,163     Found link https://files.pythonhosted.org/packages/82/be/b2e51157a4debc4ebcab179aeb839948a0f02ce06cbc7749c8ab866c0aa9/setuptools-0.6b4.zip (from https://pypi.org/simple/setuptools/), version: 0.6b4
2025-06-01T03:27:15,164     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/)
2025-06-01T03:27:15,165     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/)
2025-06-01T03:27:15,166     Found link https://files.pythonhosted.org/packages/4e/2d/555dc3106b42c977a2f7c7e6f28e5b3104c9bd9306005d304d2ddc1c6587/setuptools-0.6c1.zip (from https://pypi.org/simple/setuptools/), version: 0.6c1
2025-06-01T03:27:15,167     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/)
2025-06-01T03:27:15,167     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/)
2025-06-01T03:27:15,168     Found link https://files.pythonhosted.org/packages/e3/dd/5ccc0dd99d67675bda31bfb1e5be1460f908b9e3e475660bdcb98aea5f36/setuptools-0.6c2.zip (from https://pypi.org/simple/setuptools/), version: 0.6c2
2025-06-01T03:27:15,169     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/)
2025-06-01T03:27:15,169     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/)
2025-06-01T03:27:15,170     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/)
2025-06-01T03:27:15,171     Found link https://files.pythonhosted.org/packages/01/21/d4c5b856d702d0c6e3a615061d0b6e7101c375ceb664126583de863b4181/setuptools-0.6c3.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-06-01T03:27:15,172     Found link https://files.pythonhosted.org/packages/69/d7/a22dd38ff4811beaaa7089825dc38a34f47818f25c7025b1caab4e67b54b/setuptools-0.6c3.zip (from https://pypi.org/simple/setuptools/), version: 0.6c3
2025-06-01T03:27:15,173     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/)
2025-06-01T03:27:15,173     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/)
2025-06-01T03:27:15,174     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/)
2025-06-01T03:27:15,175     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/)
2025-06-01T03:27:15,175     Found link https://files.pythonhosted.org/packages/73/57/a910b32ea2131b5d8f7a2ff106e5a1c47b0cad4baed171ca12ffa5613c39/setuptools-0.6c4.tar.gz (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-06-01T03:27:15,176     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/)
2025-06-01T03:27:15,177     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/)
2025-06-01T03:27:15,178     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/)
2025-06-01T03:27:15,179     Found link https://files.pythonhosted.org/packages/7e/2d/926f4536e819fa93d7a4aeb0910849387c1234b865310aee40289e457012/setuptools-0.6c4.zip (from https://pypi.org/simple/setuptools/), version: 0.6c4
2025-06-01T03:27:15,179     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/)
2025-06-01T03:27:15,180     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/)
2025-06-01T03:27:15,181     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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2025-06-01T03:27:16,516     Found link https://files.pythonhosted.org/packages/70/78/ca86603790f24a597427bfedbc73a2aac5762b7c0b60a9d68631bc7e9a0e/setuptools-80.7.0-py3-none-any.whl (from https://pypi.org/simple/setuptools/) (requires-python:>=3.9), version: 80.7.0
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2025-06-01T03:27:16,682   Starting new HTTPS connection (2): www.piwheels.org:443
2025-06-01T03:27:16,830   Incremented Retry for (url='/simple/setuptools/'): Retry(total=3, connect=None, read=None, redirect=None, status=None)
2025-06-01T03:27:17,332   WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/setuptools/
2025-06-01T03:27:17,333   Starting new HTTPS connection (3): www.piwheels.org:443
2025-06-01T03:27:17,519   Incremented Retry for (url='/simple/setuptools/'): Retry(total=2, connect=None, read=None, redirect=None, status=None)
2025-06-01T03:27:18,521   WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/setuptools/
2025-06-01T03:27:18,523   Starting new HTTPS connection (4): www.piwheels.org:443
2025-06-01T03:27:18,732   Incremented Retry for (url='/simple/setuptools/'): Retry(total=1, connect=None, read=None, redirect=None, status=None)
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2025-06-01T03:27:20,736   Starting new HTTPS connection (5): www.piwheels.org:443
2025-06-01T03:27:20,947   Incremented Retry for (url='/simple/setuptools/'): Retry(total=0, connect=None, read=None, redirect=None, status=None)
2025-06-01T03:27:24,949   WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))': /simple/setuptools/
2025-06-01T03:27:24,951   Starting new HTTPS connection (6): www.piwheels.org:443
2025-06-01T03:27:25,166   Could not fetch URL https://www.piwheels.org/simple/setuptools/: There was a problem confirming the ssl certificate: HTTPSConnectionPool(host='www.piwheels.org', port=443): Max retries exceeded with url: /simple/setuptools/ (Caused by SSLError(SSLCertVerificationError(1, '[SSL: CERTIFICATE_VERIFY_FAILED] certificate verify failed: certificate is not yet valid (_ssl.c:992)'))) - skipping
2025-06-01T03:27:25,166   Skipping link: not a file: https://www.piwheels.org/simple/setuptools/
2025-06-01T03:27:25,167   Skipping link: not a file: https://pypi.org/simple/setuptools/
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2025-06-01T03:27:25,395   Collecting setuptools>=40.8.0
2025-06-01T03:27:25,396     Obtaining dependency information for setuptools>=40.8.0 from https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata
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2025-06-01T03:27:25,399     Looking up "https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl.metadata" in the cache
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2025-06-01T03:27:25,452   Created temporary directory: /tmp/pip-unpack-q9iuyi94
2025-06-01T03:27:25,454   Looking up "https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl" in the cache
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2025-06-01T03:27:25,458   Ignoring unknown cache-control directive: immutable
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2025-06-01T03:27:25,459   The response is "fresh", returning cached response
2025-06-01T03:27:25,460   365000000 > 0
2025-06-01T03:27:25,462   Using cached setuptools-80.9.0-py3-none-any.whl (1.2 MB)
2025-06-01T03:27:25,485   Downloading link https://files.pythonhosted.org/packages/a3/dc/17031897dae0efacfea57dfd3a82fdd2a2aeb58e0ff71b77b87e44edc772/setuptools-80.9.0-py3-none-any.whl (from https://pypi.org/simple/setuptools/) (requires-python:>=3.9) to /tmp/pip-unpack-q9iuyi94/setuptools-80.9.0-py3-none-any.whl
2025-06-01T03:27:26,082   Installing collected packages: setuptools
2025-06-01T03:27:26,822   Successfully installed setuptools-80.9.0
2025-06-01T03:27:26,823   Removed build tracker: '/tmp/pip-build-tracker-80xy11vf'
2025-06-01T03:27:27,027   Installing build dependencies: finished with status 'done'
2025-06-01T03:27:27,030   Getting requirements to build wheel: started
2025-06-01T03:27:27,031   Running command Getting requirements to build wheel
2025-06-01T03:27:28,857   running egg_info
2025-06-01T03:27:28,864   writing xcbm.egg-info/PKG-INFO
2025-06-01T03:27:28,867   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-06-01T03:27:28,870   writing top-level names to xcbm.egg-info/top_level.txt
2025-06-01T03:27:29,785   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:30,140   adding license file 'LICENSE'
2025-06-01T03:27:30,515   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:30,630   Getting requirements to build wheel: finished with status 'done'
2025-06-01T03:27:30,633   Created temporary directory: /tmp/pip-modern-metadata-8s7jp2c9
2025-06-01T03:27:30,635   Preparing metadata (pyproject.toml): started
2025-06-01T03:27:30,637   Running command Preparing metadata (pyproject.toml)
2025-06-01T03:27:31,325   running dist_info
2025-06-01T03:27:31,338   creating /tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info
2025-06-01T03:27:31,339   writing /tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/PKG-INFO
2025-06-01T03:27:31,342   writing dependency_links to /tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/dependency_links.txt
2025-06-01T03:27:31,345   writing top-level names to /tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/top_level.txt
2025-06-01T03:27:31,346   writing manifest file '/tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:32,228   reading manifest file '/tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:32,230   adding license file 'LICENSE'
2025-06-01T03:27:32,467   writing manifest file '/tmp/pip-modern-metadata-8s7jp2c9/xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:32,479   creating '/tmp/pip-modern-metadata-8s7jp2c9/xcbm-0.1.3.dist-info'
2025-06-01T03:27:32,626   Preparing metadata (pyproject.toml): finished with status 'done'
2025-06-01T03:27:32,631   Source in /tmp/pip-wheel-luy5f98w/xcbm_7136ab352d9b404ab854bf93fa3814f7 has version 0.1.3, which satisfies requirement xcbm==0.1.3 from https://files.pythonhosted.org/packages/de/cc/c8df8c89d17143a3deb8acc78ffdfd5314f929265ffc9f7341be143b9594/xcbm-0.1.3.tar.gz
2025-06-01T03:27:32,632   Removed xcbm==0.1.3 from https://files.pythonhosted.org/packages/de/cc/c8df8c89d17143a3deb8acc78ffdfd5314f929265ffc9f7341be143b9594/xcbm-0.1.3.tar.gz from build tracker '/tmp/pip-build-tracker-80xy11vf'
2025-06-01T03:27:32,636 Created temporary directory: /tmp/pip-unpack-xiaxpijz
2025-06-01T03:27:32,637 Created temporary directory: /tmp/pip-unpack-yqsz7w_r
2025-06-01T03:27:32,638 Building wheels for collected packages: xcbm
2025-06-01T03:27:32,642   Created temporary directory: /tmp/pip-wheel-lrmogf9g
2025-06-01T03:27:32,642   Destination directory: /tmp/pip-wheel-lrmogf9g
2025-06-01T03:27:32,644   Building wheel for xcbm (pyproject.toml): started
2025-06-01T03:27:32,645   Running command Building wheel for xcbm (pyproject.toml)
2025-06-01T03:27:33,353   running bdist_wheel
2025-06-01T03:27:33,375   running build
2025-06-01T03:27:33,375   running build_py
2025-06-01T03:27:33,382   creating build/lib/xcbm
2025-06-01T03:27:33,384   copying xcbm/MGCDB84.py -> build/lib/xcbm
2025-06-01T03:27:33,387   creating build/lib/xcbm/Input_Scripts
2025-06-01T03:27:33,388   copying xcbm/Input_Scripts/calc.py -> build/lib/xcbm/Input_Scripts
2025-06-01T03:27:33,439   running egg_info
2025-06-01T03:27:33,451   writing xcbm.egg-info/PKG-INFO
2025-06-01T03:27:33,453   writing dependency_links to xcbm.egg-info/dependency_links.txt
2025-06-01T03:27:33,455   writing top-level names to xcbm.egg-info/top_level.txt
2025-06-01T03:27:34,305   reading manifest file 'xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:35,370   adding license file 'LICENSE'
2025-06-01T03:27:36,038   writing manifest file 'xcbm.egg-info/SOURCES.txt'
2025-06-01T03:27:37,073   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,076   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,078   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,081   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,083   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,085   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,088   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,090   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,092   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,095   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,097   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,099   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,102   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,104   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,106   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,108   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,111   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,113   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,115   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,118   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,120   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,122   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,124   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,126   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,128   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,130   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,133   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,135   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,137   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,140   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,142   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,144   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,146   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,148   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,151   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,153   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,155   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,157   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,160   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,162   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,165   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,167   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,170   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,172   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,174   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,176   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,178   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,181   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,183   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,185   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,187   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,190   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,192   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,194   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,196   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,199   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,201   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,203   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,205   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,207   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,210   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,212   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,214   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,217   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,219   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,221   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,224   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,227   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,229   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,232   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,234   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,236   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,238   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,241   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,243   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,246   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,248   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,250   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,252   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,254   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,257   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,259   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,261   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,264   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,266   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,268   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,271   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,273   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,275   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,278   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,280   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,282   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,284   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,287   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,289   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,292   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,294   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,296   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,299   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,301   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,303   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,306   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,308   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,310   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,312   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,315   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,317   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,320   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,322   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,324   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,327   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,329   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,331   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,334   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,336   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,338   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,341   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,343   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,345   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,348   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,350   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,352   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,355   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,357   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,359   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,361   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,363   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,366   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,368   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,370   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,373   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,375   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,377   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,380   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,382   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,384   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,387   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,389   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,391   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,393   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,395   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,397   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,400   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,402   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,404   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,406   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,408   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,410   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,412   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,414   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,416   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,418   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,420   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,422   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,424   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,426   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,428   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,430   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,432   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,434   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,436   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,437   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,439   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,441   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,443   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,445   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,447   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,449   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,451   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,453   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,455   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,457   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,459   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,462   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,464   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,466   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,468   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,470   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,471   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,473   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,475   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,477   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,479   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,481   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,483   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,485   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,487   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,489   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,491   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,493   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,495   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,497   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,499   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,501   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,503   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,505   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,507   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,509   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,512   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,514   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,516   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,518   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,520   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,522   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,524   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,526   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,528   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,530   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,532   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,534   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,536   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,538   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,540   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,542   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,544   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,546   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,548   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,551   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,553   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,555   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,557   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,559   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,562   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,564   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,566   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,568   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,571   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,573   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,575   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,577   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,579   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,581   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,583   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,585   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,587   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,589   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,591   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,593   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,595   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,597   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,599   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,601   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,603   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,605   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,607   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,610   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,612   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,614   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,616   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,618   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,620   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,622   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,624   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,626   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,629   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,631   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,633   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,635   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,636   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,639   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,641   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,643   copying xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,645   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,647   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,649   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,651   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,653   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,655   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,657   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,659   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,661   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,663   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,665   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,667   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,669   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,671   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,674   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,676   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,678   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,680   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,682   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,684   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,686   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,688   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,690   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,692   copying xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,694   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,696   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,697   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,699   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,701   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,703   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,705   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,707   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,709   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,711   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,713   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,715   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,717   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,719   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,721   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,723   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,725   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,728   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,730   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,732   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,734   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,736   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,739   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,741   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,743   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,745   copying xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,747   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,749   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,751   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,753   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,755   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,757   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,759   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,761   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,763   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,765   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,767   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,769   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,771   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,773   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,775   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,777   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,779   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,781   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,784   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,786   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,788   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,790   copying xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,793   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,795   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,797   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,799   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,801   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,802   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,804   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,806   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,808   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,810   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,812   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,814   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,816   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,818   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,821   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,823   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,825   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,827   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,829   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,831   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,833   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,835   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,838   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,840   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,842   copying xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,844   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,847   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,848   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,850   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,852   copying xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,854   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,856   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,858   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,860   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,862   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,864   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,866   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,868   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,870   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,872   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,874   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,876   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,878   copying xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,880   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,882   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,884   copying xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,886   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,888   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,890   copying xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,892   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,895   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,897   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,899   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,902   copying xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,904   copying xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,906   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,908   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,910   copying xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,912   copying xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,914   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,916   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,918   copying xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,920   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,922   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,924   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,926   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,928   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,930   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,932   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,934   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,936   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,938   copying xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,941   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,943   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,945   copying xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,947   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,950   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,952   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,954   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,956   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,958   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,960   copying xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,962   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,964   copying xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,966   copying xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,968   copying xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,970   copying xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,972   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,973   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,976   copying xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,978   copying xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,980   copying xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,982   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,984   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,986   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,988   copying xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,990   copying xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,993   copying xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,995   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,997   copying xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:37,999   copying xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,001   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,003   copying xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,006   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,008   copying xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,010   copying xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,012   copying xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,015   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,017   copying xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,019   copying xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,021   copying xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,023   copying xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,025   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,028   copying xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,030   copying xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,032   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,034   copying xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,036   copying xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,039   copying xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,041   copying xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,043   copying xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,045   copying xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,048   copying xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,050   copying xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,052   copying xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,054   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,056   copying xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,058   copying xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,061   copying xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,063   copying xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,065   copying xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,068   copying xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,070   copying xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,072   copying xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,074   copying xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,076   copying xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,078   copying xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,080   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,082   copying xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,084   copying xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,086   copying xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,089   copying xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,091   copying xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,093   copying xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,095   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,097   copying xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,100   copying xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,102   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,104   copying xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,106   copying xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:38,108   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,109   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,112   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,114   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,116   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,118   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,121   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,123   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,126   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,128   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,130   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,132   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,134   copying xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,136   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,138   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,141   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,143   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,145   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,147   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,149   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,151   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,153   copying xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,155   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,157   copying xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,160   copying xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,162   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,164   copying xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,167   copying xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,169   copying xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,172   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,174   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,176   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,179   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,181   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,183   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,186   copying xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,188   copying xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,190   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,192   copying xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,194   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,196   copying xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,199   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,201   copying xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,203   copying xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,205   copying xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,207   copying xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:38,210   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,211   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,213   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,215   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,218   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,220   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,222   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,224   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,226   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,228   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,231   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,233   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,235   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,237   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,240   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,242   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,244   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,246   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,248   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,250   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,252   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,254   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,256   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,258   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,261   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,263   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,265   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,267   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,269   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,272   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,274   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,276   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,278   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,280   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,282   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,284   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,286   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,288   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,290   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,292   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,294   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,297   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,299   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,301   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,303   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,305   copying xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:38,307   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,308   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,310   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,312   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,314   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,315   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,317   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,319   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,321   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,323   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,325   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,327   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,328   copying xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:38,330   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,331   copying xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,334   copying xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,336   copying xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,338   copying xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,340   copying xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,342   copying xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,345   copying xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,347   copying xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,349   copying xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,352   copying xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,354   copying xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,356   copying xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,358   copying xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,361   copying xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,363   copying xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,365   copying xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,367   copying xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,369   copying xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,371   copying xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,373   copying xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,376   copying xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,378   copying xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,380   copying xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:38,382   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,383   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,385   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,388   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,391   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,393   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,396   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,398   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,400   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,402   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,404   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,407   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,409   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,411   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,414   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,416   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,418   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,420   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,422   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,424   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,427   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,429   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,431   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,434   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,436   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,438   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,440   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,442   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,444   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,447   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,449   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,451   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,454   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,456   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,458   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,461   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,463   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,465   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,468   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,470   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,472   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,475   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,477   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,479   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,481   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,483   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,485   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,488   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,490   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,492   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,495   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,497   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,499   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,502   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,504   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,506   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,509   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,511   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,514   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,516   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,518   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,520   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,523   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,525   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,527   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,530   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,532   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,534   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,536   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,538   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,540   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,543   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,545   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,547   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,549   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,552   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,554   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,556   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,558   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,561   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,563   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,565   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,567   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,570   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,572   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,574   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,577   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,579   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,581   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,584   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,586   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,588   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,590   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,592   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,594   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,596   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,598   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,601   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,603   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,605   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,607   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,610   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,612   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,614   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,616   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,619   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,621   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,624   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,626   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,628   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,631   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,633   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,635   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,637   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,640   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,642   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,644   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,650   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,652   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,654   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,656   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,658   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,660   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,661   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,663   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,665   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,667   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,669   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,671   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,673   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,675   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,677   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,679   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,681   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,683   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,686   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,688   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,690   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,692   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,694   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,696   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,698   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,700   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,702   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,704   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,706   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,708   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,710   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,712   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,714   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,716   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,718   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,720   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,723   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,725   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,727   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,729   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,732   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,735   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,737   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,740   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,742   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,744   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,747   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,749   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,751   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,753   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,755   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,757   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,759   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,761   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,764   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,766   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,768   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,770   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,772   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,774   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,776   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,778   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,780   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,782   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,784   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,787   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,789   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,791   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,794   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,796   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,798   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,801   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,803   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,805   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,807   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,809   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,811   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,814   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,816   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,818   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,820   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,822   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,824   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,826   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,828   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,830   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,832   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,835   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,837   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,839   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,841   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,843   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,845   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,848   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:38,850   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,851   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,853   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,855   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,857   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,859   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,861   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,863   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,865   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,867   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,869   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,871   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,873   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,875   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,877   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,879   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,881   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:38,883   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,884   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,887   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,889   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,891   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,893   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,895   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,897   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,899   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,902   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,904   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,906   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,908   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,910   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,912   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,914   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,916   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,918   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,920   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,922   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,924   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,926   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,928   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,930   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,933   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,935   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,937   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,939   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,942   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,944   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,946   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,948   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,950   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,952   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,954   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,956   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,958   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,960   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,963   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,965   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,967   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,968   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,970   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,972   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,974   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,976   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,978   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,980   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,982   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,984   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,986   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,988   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,990   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,992   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,994   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,996   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:38,998   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,001   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,003   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,005   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,007   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,010   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,012   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,014   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,016   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,019   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,021   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,023   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,025   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,027   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,029   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,031   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,033   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,036   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,038   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,040   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,042   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,044   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,046   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,048   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,051   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,053   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,055   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,057   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,059   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,062   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,064   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,066   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,068   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,071   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,073   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,075   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,077   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,079   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,081   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,083   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,085   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,087   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,089   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,091   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,093   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,095   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,097   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,099   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,101   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,103   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,106   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,108   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,110   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,112   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,114   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,116   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,118   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,120   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,123   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,125   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,127   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,129   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,131   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,133   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,135   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,137   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,139   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,141   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,143   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,145   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,147   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,149   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,151   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,153   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,155   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,157   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,159   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,161   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,163   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,166   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,168   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,170   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,172   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,174   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,176   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,178   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,180   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,182   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,184   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,186   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,189   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,191   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,193   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,195   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,197   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,199   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,201   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,203   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,205   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,207   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,209   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,211   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,213   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,215   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,218   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,220   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,222   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,224   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,226   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,228   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,230   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,232   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,234   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,236   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,238   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,240   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,242   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,244   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,246   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,248   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,250   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,252   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,254   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,257   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,259   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,261   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,263   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,265   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,267   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,269   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,272   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,274   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,276   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,278   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,280   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,282   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,284   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,286   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,288   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,290   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,292   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,294   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,296   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,298   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,300   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,302   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,304   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,307   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,309   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,311   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,313   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,315   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,317   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,319   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,322   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,324   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,326   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,329   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,331   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,333   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,336   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,338   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,340   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,342   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,344   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,346   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,349   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,351   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,353   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,355   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,357   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,359   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,361   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,364   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,366   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,368   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,370   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,373   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,375   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,377   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,379   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,381   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,383   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,385   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,387   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,389   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,392   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,393   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,395   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,397   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,400   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,402   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,404   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,406   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,408   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,410   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,413   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,415   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,417   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,419   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,422   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,424   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,426   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,428   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,430   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,432   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,435   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,437   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,439   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,441   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,443   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,445   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,448   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,450   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,452   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,454   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,456   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,458   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,460   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,462   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,464   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,466   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,468   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,470   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,473   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,475   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,477   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,479   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,481   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,483   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,485   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,487   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,490   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,492   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,494   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,496   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,498   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,500   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,503   copying xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:39,505   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,505   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,508   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,510   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,512   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,514   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,516   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,518   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,520   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,522   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,524   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,526   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,528   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,531   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,533   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,535   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,537   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,539   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,541   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,543   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,546   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,548   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,550   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,553   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,555   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,557   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,559   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,561   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,563   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,565   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,567   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,569   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,571   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,573   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,575   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,577   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,579   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,581   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,583   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,586   copying xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:39,588   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,589   copying xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,592   copying xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,594   copying xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,596   copying xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,598   copying xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,601   copying xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,603   copying xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,605   copying xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,607   copying xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,610   copying xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,612   copying xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,614   copying xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,616   copying xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,618   copying xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,621   copying xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,623   copying xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,625   copying xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,627   copying xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,629   copying xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,632   copying xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,634   copying xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,636   copying xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,638   copying xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,641   copying xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,643   copying xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,646   copying xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,648   copying xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,650   copying xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,652   copying xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,655   copying xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,657   copying xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,659   copying xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,661   copying xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,664   copying xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,666   copying xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,668   copying xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,671   copying xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,673   copying xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,675   copying xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,677   copying xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,680   copying xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,682   copying xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,684   copying xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,686   copying xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,688   copying xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,691   copying xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,693   copying xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,695   copying xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,697   copying xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,699   copying xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,702   copying xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,704   copying xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,706   copying xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,709   copying xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,711   copying xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,713   copying xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,715   copying xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,717   copying xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,720   copying xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,722   copying xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,724   copying xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,726   copying xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,729   copying xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,731   copying xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,733   copying xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,735   copying xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,737   copying xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,740   copying xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,742   copying xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,744   copying xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,747   copying xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:39,749   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,750   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,752   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,754   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,757   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,759   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,762   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,764   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,766   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,768   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,770   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,772   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,775   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,777   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,779   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,781   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,784   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,786   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,788   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,791   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,793   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,795   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,798   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,800   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,803   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,805   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,807   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,809   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,811   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,813   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,816   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,818   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,820   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,822   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,825   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,827   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,829   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,832   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,834   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,837   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,839   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,841   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,844   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,846   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,848   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,850   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,853   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,855   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,857   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,860   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,862   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,864   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,867   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,869   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,871   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,873   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,875   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,878   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,880   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,882   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,884   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,887   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,889   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,891   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,893   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,896   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,898   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,900   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,902   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,905   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,907   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,909   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,912   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,914   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,916   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,919   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,921   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,923   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,925   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,927   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,929   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,931   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,933   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,935   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,937   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,939   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,941   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,944   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,946   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,948   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,951   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,953   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,955   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,957   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,959   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,962   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,964   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,966   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,968   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,970   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,972   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,975   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,977   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,979   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,981   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,984   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,986   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,988   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,990   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,992   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,994   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,997   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:39,999   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,001   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,003   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,005   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,007   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,010   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,012   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,014   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,016   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,018   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,020   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,022   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,025   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,027   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,029   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,031   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,033   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,035   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,037   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,040   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,042   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,044   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,046   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,048   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,050   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,052   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,054   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,056   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,058   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,060   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,062   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,064   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,066   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,069   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,071   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,073   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,075   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,077   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,080   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,082   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,084   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,086   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,088   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,090   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,093   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,095   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,097   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,099   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,101   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,103   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,106   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,108   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,110   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,112   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,114   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,116   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,119   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,121   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,123   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,125   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,127   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,129   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,132   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,134   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,136   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,138   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,140   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,143   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,145   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,147   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,149   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,152   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,154   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,157   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,159   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,161   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,163   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,165   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,167   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,170   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,172   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,174   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,176   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,179   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,181   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,183   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,186   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,188   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,191   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,193   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,195   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,198   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,200   copying xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:27:40,202   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,203   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,206   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,208   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,210   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,213   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,215   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,218   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,220   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,222   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,224   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,227   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,229   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,231   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,234   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,236   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,238   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,241   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,243   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,245   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,248   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,250   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,252   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,254   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,257   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,259   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,261   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,264   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,266   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,268   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,271   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,273   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,275   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,277   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,279   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,281   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,283   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,285   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,287   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,290   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,292   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,294   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,296   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,298   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,300   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,303   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,305   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,307   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,309   copying xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:27:40,312   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,313   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,315   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,318   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,320   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,323   copying xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:27:40,325   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,326   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,328   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,330   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,332   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,335   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,337   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,340   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,342   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,344   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,346   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,348   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,351   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,353   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,355   copying xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:27:40,357   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,358   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,361   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,363   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,365   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,368   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,370   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,372   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,375   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,377   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,380   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,382   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,384   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,386   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,388   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,390   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,392   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,395   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,397   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,399   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,401   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,403   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,406   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,408   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,410   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,412   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,414   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,417   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,419   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,421   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,423   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,426   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,428   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,430   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,432   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,435   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,437   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,439   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,441   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,444   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,446   copying xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:27:40,448   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,449   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,451   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,453   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,455   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,458   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,460   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,462   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,464   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,466   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,468   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,470   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,473   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,475   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,477   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,479   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,482   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,484   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,486   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,488   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,490   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,493   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,495   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,497   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,499   copying xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,502   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,504   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,506   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,508   copying xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,510   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,512   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,514   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,517   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,519   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,521   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,523   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,526   copying xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,528   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,531   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,533   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,535   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,537   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,540   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,542   copying xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,544   copying xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,546   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,549   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,551   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,553   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,555   copying xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,557   copying xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,560   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,562   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,565   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,567   copying xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,570   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,572   copying xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,574   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,577   copying xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,579   copying xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,581   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,583   copying xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,585   copying xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,588   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,590   copying xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,592   copying xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,594   copying xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,597   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,599   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,601   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,604   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,606   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,608   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,611   copying xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,614   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,616   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,618   copying xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,621   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,623   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,625   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,627   copying xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,629   copying xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,631   copying xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,634   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,636   copying xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,638   copying xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,640   copying xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,642   copying xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,644   copying xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,647   copying xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,649   copying xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,651   copying xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,653   copying xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,655   copying xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:27:40,658   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,659   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,661   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,663   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,665   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,667   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,670   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,672   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,674   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,676   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,678   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,680   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,683   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,685   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,687   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,689   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,691   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,693   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,695   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,697   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,700   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,702   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,704   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,706   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,709   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,711   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,713   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,715   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,717   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,720   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,722   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,724   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,726   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,729   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,731   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,733   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,735   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,738   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,740   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,742   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,744   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,746   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,748   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,750   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,753   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,755   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,757   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,759   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,761   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,763   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,766   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,768   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,770   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,772   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,775   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,777   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,779   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,781   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,783   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,786   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,788   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,790   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,792   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,794   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,797   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,799   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,801   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,804   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,806   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,808   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,811   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,813   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,815   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,817   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,820   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,822   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,824   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,826   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,828   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,831   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,833   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,835   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,837   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,840   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,842   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,844   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,847   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,849   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,851   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,853   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,856   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,858   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,860   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,862   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,864   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,866   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,869   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,871   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,873   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,875   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,878   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,880   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,882   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,884   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,886   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,889   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,891   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,893   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,895   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,897   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,900   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,902   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,904   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,906   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,908   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,911   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,913   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,915   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,917   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,919   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,921   copying xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:27:40,923   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,924   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,926   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,928   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,931   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,933   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,935   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,937   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,940   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,942   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,944   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,946   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,949   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,951   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,953   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,955   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,957   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,960   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,962   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,964   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,966   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,969   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,971   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,973   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,975   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,977   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,979   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,982   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,984   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,986   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,988   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,990   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,992   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,994   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,997   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:40,999   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,001   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,003   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,005   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,008   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,010   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,012   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,014   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,017   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,019   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,021   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,023   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,026   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,028   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,030   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,032   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,034   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,036   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,038   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,041   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,043   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,045   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,047   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,049   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,052   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,054   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,056   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,058   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,060   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,063   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,065   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,067   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,070   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,072   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,074   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,077   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,079   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,081   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,083   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,086   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,088   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,090   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,092   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,094   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,097   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,099   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,101   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,103   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,105   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,107   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,109   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,112   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,114   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,116   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,118   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,121   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,123   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,125   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,127   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,130   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,132   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,134   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,137   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,139   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,141   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,144   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,146   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,148   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,150   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,152   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,154   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,157   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,159   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,161   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,163   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,165   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,167   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,169   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,172   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,174   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,176   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,178   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,181   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,183   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,185   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,187   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,189   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,192   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,194   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,196   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,198   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,200   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,203   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,205   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,208   copying xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:27:41,210   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,211   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,213   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,215   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,217   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,220   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,222   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,224   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,227   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,229   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,231   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,233   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,236   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,238   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,240   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,242   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,245   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,247   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,249   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,251   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,254   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,256   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,258   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,260   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,263   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,265   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,267   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,270   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,272   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,274   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,276   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,278   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,280   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,283   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,285   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,287   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,289   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,291   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,293   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,296   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,298   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,300   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,302   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,304   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,306   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,309   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,311   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,313   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,315   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,317   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,320   copying xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:27:41,322   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,325   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,327   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,329   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,331   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,333   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,336   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,338   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,340   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,342   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,344   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,346   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,349   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,351   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,353   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,355   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,357   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,359   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,362   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,364   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,366   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,368   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,370   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,372   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,374   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,377   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,379   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,381   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,383   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,385   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,387   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,390   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,392   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,394   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,397   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,399   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,401   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,403   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,405   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,407   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,409   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,411   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,413   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,416   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,418   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,420   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,422   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,424   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,426   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,429   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,431   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,433   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,435   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,437   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,439   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,442   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,444   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,446   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,448   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,451   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,453   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,455   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,458   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,460   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,462   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,464   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,466   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,468   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,471   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,473   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,475   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,477   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,479   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,481   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,483   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,486   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,488   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,491   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,493   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,495   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,497   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,499   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,502   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,504   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,506   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,508   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,510   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,512   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,515   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,517   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,519   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,521   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,524   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,526   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,528   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,530   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,532   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,534   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,537   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,539   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,541   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,544   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,546   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,548   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,550   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,552   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,555   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,557   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,559   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,561   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,564   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,566   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,568   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,571   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,573   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,575   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,577   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,579   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,582   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,584   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,586   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,589   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,591   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,593   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,595   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,598   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,600   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,602   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,604   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,606   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,608   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,611   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,613   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,615   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,617   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,620   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,622   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,624   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,626   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,628   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,631   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,633   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,635   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,637   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,640   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,642   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,644   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,646   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,649   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,651   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,653   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,655   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,657   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,660   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,662   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,664   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,666   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,668   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,670   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,673   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,675   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,677   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,679   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,682   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,684   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,686   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,688   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,691   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,693   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,695   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,697   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,700   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,702   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,704   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,707   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,709   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,711   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,714   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,716   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,718   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,721   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,723   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,725   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,728   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,730   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,732   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,735   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,737   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,739   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,741   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,743   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,746   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,748   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,750   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,752   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,755   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,757   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,759   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,761   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,764   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,766   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,768   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,771   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,773   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,775   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,777   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,780   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,782   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,784   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,786   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,788   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,790   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,793   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,795   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,797   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,799   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,801   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,804   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,806   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,808   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,811   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,813   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,816   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,818   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,820   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,822   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,825   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,827   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,829   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,831   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,833   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,836   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,838   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,840   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,842   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,844   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,847   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,849   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,851   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,854   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,856   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,858   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,860   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,862   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,865   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,867   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,869   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,871   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,873   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,875   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,878   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,880   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,882   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,884   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,886   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,889   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,891   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,893   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,895   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,897   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,900   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,902   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,904   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,906   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,908   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,911   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,913   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,915   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,917   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,920   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,922   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,924   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,926   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,928   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,930   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,932   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,934   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,937   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,939   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,941   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,943   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,945   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,948   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,950   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,952   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,954   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,956   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,958   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,961   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,963   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,965   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,967   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,970   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,972   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,974   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,976   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,978   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,980   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,982   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,984   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,987   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,989   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,991   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,993   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,995   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,997   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:41,999   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,001   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,003   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,005   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,007   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,010   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,012   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,014   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,016   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,018   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,021   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,023   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,025   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,027   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,029   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,031   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,034   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,036   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,038   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,040   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,042   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,044   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,047   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,049   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,051   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,053   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,055   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,058   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,060   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,062   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,064   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,066   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,069   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,071   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,073   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,075   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,078   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,080   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,082   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,084   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,087   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,089   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,091   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,093   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,095   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,098   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,100   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,102   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,104   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,107   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,109   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,111   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,113   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,115   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,117   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,120   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,122   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,124   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,126   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,128   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,131   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,133   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,135   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,137   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,140   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,142   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,144   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,146   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,148   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,151   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,153   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,155   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,157   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,160   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,162   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,164   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,166   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,169   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,171   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,173   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,176   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,178   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,180   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,183   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,185   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,187   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,190   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,192   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,194   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,196   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,199   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,201   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,203   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,205   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,207   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,209   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,212   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,214   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,216   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,218   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,221   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,223   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,225   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,227   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,230   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,232   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,234   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,237   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,239   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,241   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,243   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,246   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,248   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,250   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,252   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,255   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,257   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,259   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,261   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,263   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,266   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,268   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,270   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,272   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,275   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,277   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,280   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,282   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,284   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,286   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,288   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,291   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,293   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,295   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,297   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,299   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,301   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,303   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,305   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,307   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,310   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,312   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,314   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,317   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,319   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,321   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,323   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,326   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,328   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,330   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,332   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,335   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,337   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,339   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,341   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,344   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,346   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,348   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,351   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,353   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,355   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,357   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,359   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,362   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,364   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,366   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,368   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,371   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,373   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,375   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,377   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,379   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,381   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,383   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,386   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,388   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,390   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,392   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,395   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,397   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,399   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,401   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,404   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,406   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,408   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,410   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,413   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,415   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,417   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,420   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,422   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,424   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,426   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,428   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,431   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,433   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,435   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,437   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,439   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,441   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,444   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,446   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,448   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,450   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,453   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,455   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,457   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,459   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,461   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,464   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,466   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,468   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,470   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,473   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,475   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,477   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,480   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,482   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,484   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,486   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,489   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,491   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,493   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,495   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,497   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,500   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,502   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,505   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,507   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,509   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,511   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,513   copying xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,515   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,518   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,520   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,522   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,524   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,526   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,528   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,531   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,533   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,535   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,537   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,539   copying xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,542   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,544   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,546   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,548   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,550   copying xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,553   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,555   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,557   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,559   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,561   copying xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,563   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,566   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,568   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,570   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,572   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,574   copying xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,577   copying xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,579   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,581   copying xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,584   copying xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,586   copying xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,588   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,590   copying xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:27:42,593   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,594   copying xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,596   copying xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,599   copying xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,601   copying xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,604   copying xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,606   copying xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,608   copying xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,611   copying xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,613   copying xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,616   copying xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,618   copying xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,620   copying xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,623   copying xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,625   copying xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,627   copying xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,630   copying xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,632   copying xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,634   copying xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,636   copying xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,639   copying xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,641   copying xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,643   copying xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,645   copying xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,648   copying xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,650   copying xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,652   copying xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,654   copying xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,657   copying xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,659   copying xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,662   copying xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,664   copying xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,666   copying xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,668   copying xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,671   copying xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,673   copying xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:27:42,675   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,676   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,678   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,680   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,682   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,684   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,687   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,689   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,691   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,694   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,696   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,699   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,701   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,703   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,706   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,708   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,710   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,712   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,714   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,716   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,718   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,720   copying xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:27:42,722   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,723   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,726   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,728   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,730   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,732   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,734   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,736   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,738   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,740   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,742   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,744   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,746   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,748   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,750   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,752   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,754   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,756   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,758   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,760   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,763   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,765   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,766   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,768   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,771   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,773   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,775   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,777   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,779   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,781   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,783   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,785   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,787   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,789   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,791   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,793   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,795   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,798   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,800   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,802   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,804   copying xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:27:42,805   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,806   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,808   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,810   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,812   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,814   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,816   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,818   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,820   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,822   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,824   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,826   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,828   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,830   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,833   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,835   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,837   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,839   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,841   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,843   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,845   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,847   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,849   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,851   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,853   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,855   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,857   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,859   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,861   copying xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,863   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,865   copying xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,867   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,869   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,871   copying xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,873   copying xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,876   copying xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,878   copying xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,880   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,882   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,884   copying xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,887   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,889   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,891   copying xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,893   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,895   copying xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,897   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,899   copying xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,901   copying xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,904   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,906   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,908   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,910   copying xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,912   copying xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,914   copying xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,916   copying xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,919   copying xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,921   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,923   copying xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,925   copying xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,928   copying xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,930   copying xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:27:42,932   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,933   copying xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,935   copying xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,937   copying xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,939   copying xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,942   copying xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,944   copying xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,946   copying xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,948   copying xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,950   copying xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,952   copying xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,954   copying xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,956   copying xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,958   copying xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,961   copying xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,963   copying xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,965   copying xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,967   copying xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,970   copying xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,972   copying xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,974   copying xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,976   copying xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,979   copying xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,981   copying xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,983   copying xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,985   copying xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,987   copying xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:27:42,989   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:42,990   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:42,992   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:42,994   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:42,996   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:42,998   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,001   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,003   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,005   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,007   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,010   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,012   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,014   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,017   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,019   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,021   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,023   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,025   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,027   copying xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:27:43,029   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,030   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,032   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,034   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,037   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,039   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,041   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,043   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,045   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:27:43,047   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,049   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,051   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,053   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,055   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,058   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,060   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,062   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,064   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:27:43,066   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,067   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,069   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,071   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,073   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,075   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,077   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,079   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,082   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,084   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,086   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,088   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,090   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,092   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,094   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,096   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,098   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,100   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,102   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,104   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,106   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,108   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,110   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,112   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,115   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,117   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,119   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,121   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,123   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,125   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,127   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,129   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,131   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,133   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,136   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,138   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,140   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,142   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,144   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,146   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,149   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,151   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,152   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,154   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,156   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,158   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,161   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,163   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,165   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,167   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,169   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,171   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,173   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,175   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,177   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,179   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,181   copying xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:27:43,184   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,184   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,187   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,189   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,191   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,193   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,195   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,198   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,200   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,202   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,204   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,206   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,208   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,210   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,212   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,214   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,216   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,218   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,220   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,222   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,224   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,226   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,229   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,231   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,233   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,235   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,237   copying xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:27:43,239   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,240   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,242   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,245   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,247   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,249   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,251   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,253   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,255   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,258   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,260   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,262   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,264   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,266   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,268   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,270   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,272   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,274   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,276   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,278   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,280   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,282   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,284   copying xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,286   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,288   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,290   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,292   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,294   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,295   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,298   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,300   copying xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,302   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,304   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,306   copying xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,308   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,310   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,312   copying xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,314   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,317   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,319   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,321   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,323   copying xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,325   copying xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,327   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,329   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,331   copying xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,333   copying xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,335   copying xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,337   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,339   copying xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,341   copying xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,343   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,345   copying xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,347   copying xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,349   copying xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,352   copying xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,354   copying xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,356   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,358   copying xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,360   copying xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,362   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,364   copying xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,366   copying xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,368   copying xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:27:43,370   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,371   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,373   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,376   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,378   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,380   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,382   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,384   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,386   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,388   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,390   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,392   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,394   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,396   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,398   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,400   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,402   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,404   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,406   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,408   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,410   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,412   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,414   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,417   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,419   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,421   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,423   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,425   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,427   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,429   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,431   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,433   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,435   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,437   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,439   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,441   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,443   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,445   copying xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:27:43,447   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,448   copying xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,450   copying xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,452   copying xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,454   copying xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,457   copying xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,459   copying xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,461   copying xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,463   copying xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,465   copying xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,467   copying xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,469   copying xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,471   copying xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,473   copying xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,475   copying xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,477   copying xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,479   copying xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,481   copying xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,483   copying xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,485   copying xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,488   copying xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,490   copying xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:27:43,492   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,493   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,495   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,497   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,499   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,501   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,503   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,505   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,507   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,509   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,511   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,513   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,515   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,517   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,519   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,521   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,523   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,525   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,527   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,529   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,531   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,534   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,536   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,538   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,540   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,542   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,544   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,546   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,548   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,550   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,552   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,554   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,556   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,558   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,560   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,562   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,564   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,566   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,568   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,570   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,572   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,574   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,576   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,578   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,580   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,582   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,585   copying xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:27:43,587   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,588   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,590   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,592   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,594   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,596   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,598   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,600   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,602   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,604   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,606   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,608   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,610   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,612   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,614   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,616   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,618   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,620   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,622   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,624   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,626   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,628   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,630   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,632   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,634   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,636   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,638   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,640   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,642   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,644   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,646   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,648   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:27:43,650   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,651   copying xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,653   copying xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,655   copying xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,657   copying xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,659   copying xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,661   copying xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,663   copying xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,665   copying xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,667   copying xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,669   copying xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,671   copying xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,673   copying xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,675   copying xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,676   copying xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,678   copying xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,681   copying xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,683   copying xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,685   copying xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,687   copying xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,689   copying xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,691   copying xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,694   copying xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,696   copying xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,698   copying xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,700   copying xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,702   copying xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:27:43,704   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,704   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,707   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,709   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,711   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,713   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,715   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,717   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,719   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,721   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,723   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,725   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,727   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,729   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,731   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,733   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,735   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,737   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,739   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,741   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,743   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,745   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,747   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,749   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,751   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,753   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,755   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,757   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,759   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,761   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,763   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,765   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,767   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,769   copying xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:27:43,772   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,773   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,776   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,778   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,780   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,782   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,784   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,786   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,788   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,790   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,792   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,794   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,797   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,799   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,801   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,803   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,805   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,807   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,809   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,811   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,814   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,816   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,818   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,820   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,822   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,824   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,826   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,829   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,830   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,833   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,834   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,836   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,838   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,840   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,843   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,845   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,847   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,849   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,851   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,853   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,856   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,858   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,860   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,862   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,864   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,867   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,869   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,871   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,873   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,875   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,877   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,880   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,882   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,884   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,886   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,888   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,890   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,892   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,894   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,896   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,899   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,901   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,903   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,905   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,907   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,910   copying xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:27:43,912   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,913   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,915   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,917   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,919   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,922   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,924   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,926   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,928   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,930   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,933   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,935   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,937   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,939   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,942   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,944   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,946   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,948   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,950   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,953   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,955   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,957   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,959   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,961   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,963   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,965   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,967   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,970   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,972   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,974   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,976   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,978   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,980   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,983   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,985   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,987   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,989   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,991   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,994   copying xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:27:43,996   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:43,997   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:43,999   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,001   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,003   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,006   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,008   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,010   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,012   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,014   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,016   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,018   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,020   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,022   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,024   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,027   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,029   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,031   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,034   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,036   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,038   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,040   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,042   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,044   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,046   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,048   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,051   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,053   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,055   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,057   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,059   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,062   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,064   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,066   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,067   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,069   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,071   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,073   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,075   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,077   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,079   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,081   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,084   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,086   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,088   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,090   copying xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:27:44,092   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,093   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,095   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,097   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,099   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,101   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,103   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,106   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,108   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,110   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,112   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,114   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,116   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,118   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,121   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,123   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,125   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,128   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,130   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,132   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,134   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,136   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,138   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,140   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,142   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,145   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,147   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,149   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,151   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,153   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,155   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,158   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,160   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,162   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,165   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,167   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,170   copying xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:27:44,172   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,173   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,176   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,178   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,180   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,182   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,184   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,186   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,188   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,191   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,193   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,195   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,198   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,200   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,202   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,205   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,207   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,210   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,212   copying xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:27:44,215   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,216   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,218   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,221   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,223   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,225   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,227   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,229   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,232   copying xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:27:44,234   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,235   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,237   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,239   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,241   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,243   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,245   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,247   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,249   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,251   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,253   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,255   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,257   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,260   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,262   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,264   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,266   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,268   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,270   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,272   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,274   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,276   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,278   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,280   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,282   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,284   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,286   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,288   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,290   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,292   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,294   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,296   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,298   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,300   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,302   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,304   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,306   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,308   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,310   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,312   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,314   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,317   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,319   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,321   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,323   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,325   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,327   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,329   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,332   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,334   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,336   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,338   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,340   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,342   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,345   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,347   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,349   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,351   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,353   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,355   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,357   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,359   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,362   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,364   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,366   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,368   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,370   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,372   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,375   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,377   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,379   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,381   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,383   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,385   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,387   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,389   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,392   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,394   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,396   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,398   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,400   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,403   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,404   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,407   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,409   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,411   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,413   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,415   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,417   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,419   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,421   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,424   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,426   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,428   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,431   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,433   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,435   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,437   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,439   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,441   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,444   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,446   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,448   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,450   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,452   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,454   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,457   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,459   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,461   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,463   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,465   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,467   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,469   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,471   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,474   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,476   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,478   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,480   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,482   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,484   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,486   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,489   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,491   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,493   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,495   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,497   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,499   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,501   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,503   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,506   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,508   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,510   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,512   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,514   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,516   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,518   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,520   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,522   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,524   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,526   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,528   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,530   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,533   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,535   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,537   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,539   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,541   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,543   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,545   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,547   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,549   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,551   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,554   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,556   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,558   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,560   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,562   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,564   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,566   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,568   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,570   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,572   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,574   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,576   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,578   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,581   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,583   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,585   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,587   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,589   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,591   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,594   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,596   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,598   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,600   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,602   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,605   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,607   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,609   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,611   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,614   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,616   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,618   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,620   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,622   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,624   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,626   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,628   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,630   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,632   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,634   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,636   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,638   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,640   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,643   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,645   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,647   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,649   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,651   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,653   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,656   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,658   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,660   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,662   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,665   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,667   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,669   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,672   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,674   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,676   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,678   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,681   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,683   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,685   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,687   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,689   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,691   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,693   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,695   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,698   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,700   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,702   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,704   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,706   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,709   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,711   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,713   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,715   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,717   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,719   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,721   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,724   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,726   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,728   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,730   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,732   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,734   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,736   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,738   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,740   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,742   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,744   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,746   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,748   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,750   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,753   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,755   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,757   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,759   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,761   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,763   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,765   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,767   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,770   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,772   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,774   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,776   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,778   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,781   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,783   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,785   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,787   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,789   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,791   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,793   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,795   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,797   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,799   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,801   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,803   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,805   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,807   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,809   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,811   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,813   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,816   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,818   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,820   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,822   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,824   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,826   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,828   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,830   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,832   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,834   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,836   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,838   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,841   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,843   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,845   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,847   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,849   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,851   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,853   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,855   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,857   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,859   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,861   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,863   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,865   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,867   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,869   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,871   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,873   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,876   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,877   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,880   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,882   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,884   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,886   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,888   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,890   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,893   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,895   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,897   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,899   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,901   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,903   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,905   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,907   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,909   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,911   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,914   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,916   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,918   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,920   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,922   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,924   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,926   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,928   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,930   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,932   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,934   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,937   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,939   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,941   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,943   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,945   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,947   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,950   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,951   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,953   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,955   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,957   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,959   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,961   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,963   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,965   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,967   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,969   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,971   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,973   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,975   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,978   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,980   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,982   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,984   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,986   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,988   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,990   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,992   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,994   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,996   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:44,998   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,000   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,002   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,004   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,006   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,008   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,010   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,012   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,014   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,016   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,018   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,021   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,023   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,025   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,027   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,029   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,031   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,033   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,035   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,037   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,039   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,041   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,043   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,046   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,048   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,050   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,052   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,054   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,056   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,058   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,060   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,062   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,064   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,066   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,068   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,070   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,072   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,074   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,076   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,078   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,080   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,082   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,084   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,086   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,088   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,091   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,093   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,095   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,097   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,099   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,101   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,103   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,105   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,107   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,109   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,111   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,113   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,115   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,117   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,120   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,122   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,124   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,126   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,128   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,130   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,132   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,134   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,136   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,138   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,140   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,142   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,144   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,146   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,148   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,150   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,152   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,154   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,157   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,159   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,161   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,163   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,165   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,167   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,169   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,171   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,173   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,175   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,177   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,179   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,181   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,183   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,185   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,187   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,189   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,191   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,193   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,195   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,197   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,200   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,202   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,204   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,206   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,208   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,210   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,212   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,214   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,217   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,219   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,221   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,223   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,225   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,227   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,229   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,231   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,233   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,235   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,237   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,239   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,241   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,243   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,245   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,247   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,249   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,251   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,253   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,255   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,257   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,259   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,262   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,264   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,266   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,268   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,270   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,272   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,274   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,276   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,278   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,280   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,282   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,284   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,286   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,288   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,290   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,292   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,294   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,296   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,298   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,300   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,302   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,304   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,306   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,308   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,310   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,312   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,314   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,317   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,319   copying xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:27:45,321   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,322   copying xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,324   copying xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,326   copying xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,328   copying xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,330   copying xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,332   copying xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,334   copying xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,336   copying xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,338   copying xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,340   copying xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,342   copying xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,344   copying xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,346   copying xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,348   copying xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:27:45,350   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:27:45,351   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:27:45,354   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:27:45,356   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:27:45,358   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:27:45,360   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,361   copying xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,363   copying xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,366   copying xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,368   copying xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,371   copying xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,373   copying xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,375   copying xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,377   copying xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,379   copying xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,381   copying xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,383   copying xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,385   copying xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,387   copying xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,389   copying xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,391   copying xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,393   copying xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,395   copying xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,397   copying xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,399   copying xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,401   copying xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,403   copying xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,405   copying xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,407   copying xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,409   copying xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,411   copying xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,414   copying xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,416   copying xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:27:45,418   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,419   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,421   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,423   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,426   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,428   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,430   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,432   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,434   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,436   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,438   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,440   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,442   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,444   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,446   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,448   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,450   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,452   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,454   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,456   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,458   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,460   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,462   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,464   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,466   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,468   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,470   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,472   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,474   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,476   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,478   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,481   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,483   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,485   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,487   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,489   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,491   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,493   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,495   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,497   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,499   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,501   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,503   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,505   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,506   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,508   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,510   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,512   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,514   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,517   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,518   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,521   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,523   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,525   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,527   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,529   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,531   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,534   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,536   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,538   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,540   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,542   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,544   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,546   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,548   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,550   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,552   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,554   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,556   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,559   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,561   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,563   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,565   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,567   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,569   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,571   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,574   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,576   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,578   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,580   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,582   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,584   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,586   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,588   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,591   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,593   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,595   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,597   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,599   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,601   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,603   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,605   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,607   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,609   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,611   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,613   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,615   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,618   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,620   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,622   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,624   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,626   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,628   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,631   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,633   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,635   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,637   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,639   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,641   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,643   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,646   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,648   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,650   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,652   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,654   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,656   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,658   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,660   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,662   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,664   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,666   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,668   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,671   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,673   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,675   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,677   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,679   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,681   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,683   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,685   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,687   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,689   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,692   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,694   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,696   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,698   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,700   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,702   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,704   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,706   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,708   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,710   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,712   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,714   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,716   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,718   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,720   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,722   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,724   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,726   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,728   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,730   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,733   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,735   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,737   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,739   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,741   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,743   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,745   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,747   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,749   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,752   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,754   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,755   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,757   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,759   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,761   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,763   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,765   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,767   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,769   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,771   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,773   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,775   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,777   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,780   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,782   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,784   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,786   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,788   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,790   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,792   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,794   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,796   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,798   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,800   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,802   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,804   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,806   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,808   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,811   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,813   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,815   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,817   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,819   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,821   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,823   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,825   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,827   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,829   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,831   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,834   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,836   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,838   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,840   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,842   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,844   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,846   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,849   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,851   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,853   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,856   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,858   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,860   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,862   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,864   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,866   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,868   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,870   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,872   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,875   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,877   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,879   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,881   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,883   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,885   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,887   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,890   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,892   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,894   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,896   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,898   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,901   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,903   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,905   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,907   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,909   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,913   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,915   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,917   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,919   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,921   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,923   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,927   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,929   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,931   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,934   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,936   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,938   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,940   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,942   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,945   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,947   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,949   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,951   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,953   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,955   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,957   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,959   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,961   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,965   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,968   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,970   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,972   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,974   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,976   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,980   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,982   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,984   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,986   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,988   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,991   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,993   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:27:45,995   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:45,996   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:45,998   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,000   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,003   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,005   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,007   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,009   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,011   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,013   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,015   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,017   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,020   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,022   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,024   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,026   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,028   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,030   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,032   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,034   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,036   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,038   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,040   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,043   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,045   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,047   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,049   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,051   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,053   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,055   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,057   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,060   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,062   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,064   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,066   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,068   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,070   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,072   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,074   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,076   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,078   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,081   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,083   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,086   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,088   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,090   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,092   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,094   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,096   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,098   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,100   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,102   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,104   copying xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:27:46,106   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,107   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,110   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,112   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,114   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,116   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,118   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,121   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,123   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,125   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,127   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,129   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,131   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,133   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,135   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,137   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,139   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,141   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,144   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,146   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,148   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,150   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,152   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,154   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,156   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,158   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,160   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,163   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,165   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,167   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,169   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,171   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,173   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,175   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,178   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,180   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,182   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,184   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,186   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,188   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,191   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,193   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,195   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,197   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,199   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,201   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,203   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,205   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,208   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,210   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,212   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,214   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,216   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,218   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,220   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,222   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,224   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,226   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,229   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,231   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,233   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,235   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,237   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,239   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,241   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,244   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,247   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,251   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,255   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,258   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,260   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,262   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,264   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,266   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,269   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,271   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,273   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,275   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,277   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,280   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,282   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,284   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,286   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,288   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,290   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,292   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,294   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,296   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,298   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,300   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,303   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,305   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,307   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,309   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,311   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,313   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,316   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,318   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,321   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,323   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,325   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,327   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,330   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,332   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,334   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,337   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,339   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,341   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,343   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,345   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,348   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,350   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,352   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,354   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,356   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,359   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,361   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,363   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,365   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,367   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,369   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,372   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,374   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,376   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,378   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,380   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,383   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,385   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,387   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,389   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,392   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,394   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,396   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,398   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,400   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,402   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,405   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,407   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,410   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,412   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,414   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,416   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,418   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,421   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,423   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,425   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,427   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,429   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,431   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,433   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,436   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,438   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,440   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,442   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,444   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,446   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,448   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,450   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,452   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,455   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,457   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,459   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,461   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,463   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,465   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,467   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,470   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,472   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,474   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,476   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,478   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,480   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,483   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,485   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,487   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,490   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,492   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,494   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,497   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,499   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,501   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,504   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,506   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,508   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,510   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,513   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,515   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,517   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,520   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,522   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,525   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,527   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,530   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,532   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,534   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,537   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,539   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,541   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,543   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,546   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,548   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,550   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,553   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,555   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,557   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,559   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,562   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,564   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,566   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,568   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,571   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:27:46,573   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,574   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,576   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,578   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,580   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,582   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,584   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,586   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,588   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,591   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,593   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,595   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,597   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,599   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,601   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,604   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,606   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,609   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,611   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,613   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,616   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,618   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,620   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,622   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,624   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,626   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,628   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,630   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,632   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,634   copying xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,636   copying xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,638   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,640   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,642   copying xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,644   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,646   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,648   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,650   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,653   copying xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,655   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,657   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,659   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,661   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,663   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,666   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,668   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,670   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,672   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,674   copying xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,676   copying xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,678   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,680   copying xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,682   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,684   copying xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,687   copying xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,689   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,691   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,693   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,695   copying xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,697   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,700   copying xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,702   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,704   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,706   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,708   copying xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,710   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,712   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,715   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,717   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,719   copying xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,721   copying xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,724   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,726   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,728   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,730   copying xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,732   copying xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,734   copying xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,736   copying xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,738   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,740   copying xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,742   copying xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,744   copying xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,746   copying xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,748   copying xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,750   copying xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,753   copying xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,755   copying xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,757   copying xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,759   copying xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,762   copying xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,764   copying xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:27:46,768   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,769   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,772   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,774   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,776   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,778   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,780   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,782   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,784   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,786   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,788   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,790   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,792   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,794   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,796   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,798   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,800   copying xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:27:46,801   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,802   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,805   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,806   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,809   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,811   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,813   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,815   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,817   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,819   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,821   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,823   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,825   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,827   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,829   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,831   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,833   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,835   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,837   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,839   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,841   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,843   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,845   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,847   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,848   copying xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,850   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,852   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,854   copying xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,856   copying xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,858   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,860   copying xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,862   copying xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,864   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,866   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,868   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,870   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,872   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,874   copying xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,876   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,878   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,880   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,882   copying xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,884   copying xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,886   copying xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,888   copying xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,890   copying xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,892   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,894   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,896   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,898   copying xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,901   copying xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,903   copying xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,904   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,906   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,908   copying xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,910   copying xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,912   copying xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,914   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,916   copying xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,918   copying xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,920   copying xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:27:46,922   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,923   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,925   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,927   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,930   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,932   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,934   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,936   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,939   copying xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:27:46,941   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,942   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,944   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,946   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,948   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,950   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,953   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,955   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,957   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,959   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,961   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,963   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,965   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,967   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,969   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,971   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,973   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,975   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,977   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,979   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,981   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,983   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,985   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,987   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,990   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,992   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,994   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,996   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:46,998   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,000   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,002   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,005   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,007   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,009   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,011   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,013   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,015   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,017   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,019   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,021   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,023   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,025   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,027   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,030   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,032   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,034   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,036   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,038   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,041   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,043   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,046   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,048   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,050   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,052   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,054   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,057   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,059   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,061   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,064   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,066   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,068   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,070   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,072   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,075   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,077   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,079   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,081   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,083   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,085   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,088   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,090   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,092   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,094   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,097   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,099   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,101   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,103   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,106   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,108   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,110   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,112   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,114   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,117   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,119   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,121   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,123   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,125   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,127   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,130   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,132   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,134   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,136   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,138   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,140   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,143   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,145   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,147   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,149   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,151   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,153   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,155   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,157   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,160   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,162   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,164   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,166   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,169   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,171   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,173   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,175   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,178   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,180   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,182   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,184   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,186   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,188   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,191   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,193   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,195   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,197   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,199   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,201   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,203   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,205   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,208   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,210   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,212   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,216   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,218   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,221   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,223   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,226   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,228   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,230   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,232   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,234   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,236   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,238   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,240   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,243   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,245   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,247   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,249   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,251   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,254   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,256   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,258   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,260   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,262   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,264   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,266   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,269   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,271   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,273   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,275   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,277   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,279   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,282   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,284   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,286   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,288   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,290   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,292   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,294   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,296   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,298   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,300   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,302   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,304   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,306   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,309   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,311   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,313   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,315   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,317   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,319   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,322   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,324   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,326   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,328   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,330   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,333   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,335   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,337   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,339   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,341   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,343   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,345   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,347   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,349   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,351   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,354   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,356   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,358   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,360   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,362   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,364   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,367   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,369   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,371   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,373   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,375   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,377   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,380   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,382   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,384   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,386   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,388   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,391   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,393   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,395   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,397   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,400   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,402   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,404   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,406   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,408   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,410   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,412   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,415   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,417   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,419   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,421   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,423   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,425   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,428   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,430   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,432   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,434   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,437   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,439   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,441   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,443   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,445   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,447   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,450   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,452   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,454   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,456   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,459   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,461   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,463   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,465   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,467   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,469   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,471   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,474   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,476   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,478   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,480   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,482   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,484   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,486   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,489   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,491   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,493   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,495   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,497   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,500   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,502   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,504   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,506   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,508   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,510   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,512   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,514   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,516   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,518   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,520   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,523   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,525   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,527   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,529   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,531   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,533   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,536   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,538   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,540   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,542   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,544   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,547   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,549   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,551   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,553   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,555   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,557   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,559   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,561   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,563   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,566   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,568   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,570   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,572   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,574   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,576   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,578   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,581   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,583   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,585   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,587   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,590   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,592   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,594   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,596   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,598   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,601   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,603   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,605   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,607   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,610   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,611   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,614   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,616   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,618   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,620   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,622   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,624   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,626   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,628   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,631   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,633   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,635   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,637   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,639   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,641   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,644   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,646   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,648   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,650   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,652   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,654   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,657   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,659   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,661   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,663   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,665   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,667   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,669   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,671   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,673   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,675   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,677   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,679   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,681   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,683   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,686   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,688   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,690   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,692   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,695   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,697   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,699   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,701   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,703   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,706   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,708   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,710   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,712   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,715   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,717   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,719   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,722   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,724   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,726   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,729   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,731   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,733   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,736   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,738   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,740   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,742   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,745   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,747   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,749   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,751   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,753   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,756   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,758   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,760   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,762   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,765   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,767   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,770   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,772   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,775   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,777   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,779   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,781   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,783   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,785   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,787   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,789   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,792   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,794   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,796   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,798   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,800   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,802   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,805   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,807   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,810   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,812   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,815   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,817   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,820   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,822   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,824   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,826   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,829   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,831   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,833   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,835   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,837   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,840   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,842   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,844   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,846   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,848   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,850   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,852   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,855   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,857   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,859   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,861   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,863   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,866   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,868   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,870   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,872   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,875   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,877   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,879   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,881   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,884   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,886   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,888   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,891   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,893   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,895   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,897   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,899   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,902   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,903   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,906   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,908   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,910   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,912   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,914   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,916   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,919   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,921   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,923   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,925   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,927   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,930   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,932   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,934   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,937   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,939   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,941   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,943   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,946   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,948   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,950   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,952   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,955   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,957   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,959   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,961   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,964   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,966   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,968   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,970   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,973   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,975   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,977   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,980   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,982   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,984   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,987   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,990   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,992   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,994   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,997   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:47,999   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,001   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,003   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,006   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,008   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,010   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,012   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,014   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,017   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,019   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,021   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,023   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,026   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,028   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,030   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,032   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,034   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,037   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,039   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,041   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,043   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,045   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,047   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,050   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,052   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,054   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,057   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,059   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,061   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,063   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,065   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,067   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,069   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,071   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,073   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,075   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,077   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,080   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,082   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,084   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,086   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,088   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,091   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,093   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,095   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,099   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,101   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,103   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,105   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,107   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,109   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,112   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,114   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,116   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,118   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,120   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,122   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,124   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,126   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,128   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,130   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,133   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,135   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,137   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,139   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,142   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,144   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,146   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,148   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,150   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,152   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,154   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,157   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,159   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,161   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,163   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,166   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,168   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,170   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,172   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,174   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,176   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,178   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,180   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,182   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,184   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,186   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,188   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,191   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,193   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,195   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,197   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,199   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,201   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,203   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,206   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,208   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,210   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,212   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,214   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,216   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,219   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,221   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,223   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,225   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,227   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,229   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,231   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,234   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,236   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,238   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,240   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,242   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,244   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,246   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,248   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,251   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,253   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,255   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,257   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,259   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,261   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,264   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,266   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,268   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,270   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,272   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,275   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,277   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,279   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,281   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,283   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,285   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,287   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,289   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,291   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,293   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,296   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,298   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,300   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,302   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,304   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,306   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,308   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,311   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,313   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,315   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,317   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,319   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,321   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,323   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,326   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,328   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,330   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,332   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,334   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,336   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,338   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,340   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,342   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,344   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,346   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,349   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,351   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,353   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,355   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,357   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,360   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,362   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,364   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,366   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,369   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,371   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,373   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,376   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,378   copying xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:27:48,380   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,381   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,384   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,386   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,388   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,390   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,392   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,394   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,397   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,399   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,401   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,403   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,406   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,408   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,410   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,412   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,415   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,417   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,419   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,421   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,424   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,426   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,428   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,430   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,432   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,435   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,437   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,439   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,441   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,443   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,445   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,447   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,450   copying xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:27:48,452   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,453   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,455   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,457   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,459   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,461   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,463   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,465   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,467   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,469   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,471   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,474   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,476   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,478   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,480   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,482   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,484   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,487   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,489   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,491   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,493   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,496   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,498   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,500   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,502   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,505   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,507   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,509   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,511   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,513   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,515   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,517   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,519   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,521   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,523   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,525   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,528   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,530   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,532   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,534   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,537   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,539   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,541   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,543   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,545   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,548   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,550   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,552   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,554   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,556   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,559   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,561   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,563   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,565   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,567   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,569   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,572   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,574   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,576   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,578   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,580   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,582   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,584   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,587   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,589   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,591   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,593   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,596   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,598   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,600   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,603   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,605   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,607   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,609   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,612   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,614   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,616   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,618   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,621   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,623   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,625   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,627   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,629   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,632   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,634   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,636   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,638   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,641   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,643   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,645   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,647   copying xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:27:48,649   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,650   copying xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,653   copying xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,655   copying xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,657   copying xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,660   copying xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,662   copying xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,664   copying xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,666   copying xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,668   copying xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,670   copying xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,673   copying xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,675   copying xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,677   copying xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,679   copying xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,681   copying xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,684   copying xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,686   copying xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,688   copying xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:27:48,690   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,691   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,693   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,695   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,697   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,699   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,702   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,704   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,706   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,708   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,711   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,713   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,715   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,717   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,719   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,721   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,724   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,726   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,728   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,730   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,732   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,735   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,737   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,739   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,741   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,743   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,745   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,747   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,750   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,752   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,754   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,756   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,759   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,761   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,763   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,766   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,768   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,770   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,772   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,774   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,777   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,779   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,781   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,783   copying xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:27:48,785   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,787   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,789   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,791   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,794   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,796   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,798   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,800   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,803   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,805   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,807   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,809   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,812   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,814   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,816   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,818   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,820   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,823   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,825   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,827   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,829   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,832   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,834   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,836   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,838   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,840   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,843   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,845   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,847   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,849   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,851   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,854   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,856   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,858   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,861   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,863   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,865   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,867   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,869   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,871   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,874   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,876   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,878   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,880   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,882   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,885   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,887   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,890   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,892   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,894   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,896   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,899   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,901   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,903   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,905   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,908   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,910   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,912   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,915   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,917   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,919   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,922   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,924   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,926   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,929   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,932   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,934   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,937   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,939   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,941   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,943   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,945   copying xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:27:48,947   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,948   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,950   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,952   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,955   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,957   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,959   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,961   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,964   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,976   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,976   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,977   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,977   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,978   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,978   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,979   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,981   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,984   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,986   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,988   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,991   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,993   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,996   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:48,998   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,000   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,002   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,004   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,006   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,009   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,011   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,014   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,016   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,018   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,020   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,022   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,024   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,027   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,029   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,031   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,033   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,036   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,038   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,040   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,042   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,045   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,047   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,049   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,051   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,054   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,056   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,058   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,061   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,063   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,065   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,067   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,069   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,071   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,074   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,076   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,078   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,080   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,082   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,085   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,087   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,089   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,091   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,094   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,096   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,098   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,101   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,103   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,105   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,107   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,110   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,112   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,115   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,117   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,120   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,122   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,124   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,127   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,129   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,132   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,134   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,136   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,138   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,141   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,143   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,145   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,148   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,150   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,152   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,154   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,157   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,159   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,162   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,164   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,166   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,168   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,171   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,173   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,176   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,178   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,181   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,183   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,185   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,188   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,190   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,193   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,195   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,198   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,200   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,203   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,206   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,209   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,212   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,214   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,217   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,220   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,223   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,226   copying xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:27:49,228   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,230   copying xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,233   copying xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,236   copying xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,239   copying xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,241   copying xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,244   copying xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,247   copying xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,250   copying xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:27:49,253   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,254   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,257   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,260   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,263   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,266   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,269   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,272   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,275   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,278   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,281   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,284   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,287   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,290   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,293   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,296   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,298   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,300   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,303   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,305   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,307   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,310   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,312   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,314   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,317   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,319   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,322   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,324   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,326   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,329   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,332   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,334   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,336   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,339   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,341   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,343   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,345   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,348   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,350   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,352   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,354   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,357   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,359   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,361   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,363   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,366   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,368   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,370   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,373   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,375   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,377   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,379   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,382   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,384   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,386   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,389   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,391   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,394   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,396   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,399   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,401   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,403   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,406   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,408   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,410   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,412   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,415   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,417   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,419   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,422   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,424   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,426   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,429   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,431   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,434   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,436   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,439   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,441   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,444   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,446   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,449   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,451   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,454   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,456   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,459   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,461   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,464   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,466   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,468   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,470   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,473   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,475   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,477   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,480   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,482   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,485   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,487   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,489   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,492   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,494   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,497   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,499   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,502   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,504   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,507   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,509   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,511   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,514   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,516   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,519   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,521   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,523   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,526   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,528   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,530   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,533   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,535   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,537   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,540   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,542   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,545   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,547   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,550   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,552   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,554   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,557   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,559   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,562   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,564   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,566   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,569   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,571   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,573   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,576   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,578   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,581   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,583   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,585   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,588   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,590   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,592   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,595   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,597   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,599   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,602   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,604   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,607   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,609   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,612   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,614   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,616   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,619   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,621   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,623   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,626   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,628   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,630   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,633   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,635   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,637   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,640   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,642   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,644   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,646   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,649   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,651   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,653   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,656   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,658   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,660   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,662   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,665   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,667   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,669   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,672   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,674   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,676   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,679   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,681   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,683   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,686   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,688   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,691   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,693   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,696   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,698   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,700   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,703   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,705   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,707   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,710   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,712   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,714   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,717   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,719   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,722   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,724   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,727   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,729   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,731   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,734   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,736   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,738   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,741   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,743   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,745   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,748   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,750   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,753   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,755   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,757   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,760   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,762   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,764   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,767   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,769   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,771   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,773   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,776   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,778   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,780   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,782   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,785   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,788   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,790   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,793   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,795   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,797   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,800   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,802   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,805   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,807   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,809   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,812   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,814   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,817   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,819   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,822   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,824   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,826   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,829   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,831   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,833   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,836   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,838   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,840   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,843   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,845   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,848   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,850   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,853   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,855   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,857   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,860   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,862   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,865   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,867   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,870   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,872   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,875   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,877   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,880   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,882   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,885   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,887   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,890   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,892   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,894   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,897   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,899   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,902   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,904   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,906   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,909   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,911   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,913   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,916   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,918   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,920   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,923   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,925   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,927   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,930   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,932   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,934   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,937   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,939   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,941   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,944   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,946   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,948   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,950   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,952   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,955   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,957   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,959   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,962   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,964   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,966   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,969   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,971   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,974   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,976   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,978   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,981   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,983   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,985   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,988   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,990   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,992   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,995   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,997   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:49,999   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,002   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,004   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,006   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,008   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,011   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,013   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,015   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,018   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,020   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,022   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,025   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,027   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,029   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,032   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,034   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,036   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,039   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,041   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,044   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,046   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,048   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,051   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,053   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,055   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,058   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,060   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,062   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,064   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,067   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,069   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,071   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,074   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,076   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,079   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,081   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,083   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,085   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,088   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,090   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,093   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,095   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,098   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,100   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,103   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,105   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,107   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,110   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,113   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,116   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,118   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,120   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,123   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,125   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,127   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,130   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,132   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,134   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,137   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,139   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,142   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,144   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,146   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,148   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,151   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,153   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,156   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,158   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,160   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,163   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,166   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,168   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,171   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,173   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,176   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,178   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,180   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,182   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,185   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,187   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,190   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,192   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,194   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,196   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,199   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,201   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,204   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,206   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,209   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,211   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,214   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,217   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,219   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,222   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,224   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,227   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,229   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,231   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,234   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,236   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,238   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,241   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,243   copying xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:27:50,245   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,246   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,248   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,251   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,253   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,255   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,258   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,260   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,262   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,265   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,267   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,269   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,272   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,274   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,276   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,278   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,281   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,283   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,285   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,288   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,290   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,293   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,295   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,297   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,300   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,302   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,304   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,306   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,309   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,311   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,313   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,316   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,318   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,320   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,322   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,325   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,327   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,330   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,332   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,334   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,336   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,339   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,341   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,344   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,346   copying xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:27:50,348   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,349   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,352   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,354   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,356   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,359   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,361   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,364   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,366   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,368   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,371   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,373   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,375   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,378   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,380   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,382   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,385   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,387   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,389   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,391   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,394   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,396   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,398   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,401   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,403   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,405   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,408   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,410   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,412   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,415   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,417   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,419   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,422   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,424   copying xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:27:50,426   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,427   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,430   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,432   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,434   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,436   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,439   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,441   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,443   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,445   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,448   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,450   copying xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:27:50,452   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,453   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,456   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,458   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,460   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,463   copying xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:27:50,465   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,466   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,469   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,471   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,473   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,476   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,478   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,481   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,483   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,486   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,488   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,490   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,493   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,495   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,497   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,500   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,502   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,504   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,507   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,509   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,512   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,514   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,516   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,519   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,521   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,523   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,525   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,528   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,530   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,533   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,535   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,537   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,539   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,542   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,544   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,547   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,549   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,551   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,554   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,556   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,558   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,561   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,563   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,565   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,567   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,570   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,572   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,574   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,577   copying xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:27:50,579   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,580   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,582   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,584   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,587   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,589   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,592   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,594   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,596   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,598   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,601   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,603   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,605   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,608   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,610   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,612   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,615   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,617   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,619   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,622   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,624   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,626   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,629   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,631   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,633   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,635   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,638   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,640   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,642   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,645   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,647   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,649   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,652   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,654   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,656   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,659   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,661   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,663   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,665   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,668   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,670   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,672   copying xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:27:50,675   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,676   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,678   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,681   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,683   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,685   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,688   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,691   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,693   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,696   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,698   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,700   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,702   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,705   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,707   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,709   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,711   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,713   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,715   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,718   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,720   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,722   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,724   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,727   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,729   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,732   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,734   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,736   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,739   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,741   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,743   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,746   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,748   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,750   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,753   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,755   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,757   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,759   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,762   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,764   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,767   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,769   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,771   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,774   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,776   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,779   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,781   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,784   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,786   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,788   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,791   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,793   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,796   copying xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:27:50,798   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,799   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,802   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,804   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,807   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,809   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,812   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,814   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,816   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,819   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,821   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,824   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,826   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,828   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,830   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,833   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,835   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,837   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,840   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,842   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,845   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,847   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,849   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,852   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,854   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,856   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,859   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,861   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,863   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,865   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,868   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,870   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,872   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,875   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,877   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,879   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,882   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,884   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,886   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,888   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,891   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,893   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,895   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,898   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,900   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,902   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,905   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,907   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,909   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,912   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,914   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,916   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,919   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,921   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,923   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,926   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,928   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,931   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,933   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,935   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,938   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,940   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,942   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,945   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,947   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,950   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,952   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,954   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,957   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,959   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,961   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,963   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,966   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,968   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,971   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,973   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,975   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,978   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,980   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,983   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,985   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,988   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,990   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,993   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,995   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:50,997   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,000   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,002   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,005   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,007   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,010   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,012   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,015   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,017   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,020   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,022   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,025   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,027   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,029   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,032   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,034   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,037   copying xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:27:51,039   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,040   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,043   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,045   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,048   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,050   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,053   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,055   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,058   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,060   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,062   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,065   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,067   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,070   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,072   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,074   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,077   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,079   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,081   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,083   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,086   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,088   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,091   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,094   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,096   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,098   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,101   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,103   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,106   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,108   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,111   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,113   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,115   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,117   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,120   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,122   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,124   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,126   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,129   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,131   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,134   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,136   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,138   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,141   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,143   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,146   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,148   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,151   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,153   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,156   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,158   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,161   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,163   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,165   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,168   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,170   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,172   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,174   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,177   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,179   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,181   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,184   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,186   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,188   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,191   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,193   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,196   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,198   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,200   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,203   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,205   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,207   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,210   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,212   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,215   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,217   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,219   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,222   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,224   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,226   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,229   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,231   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,233   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,235   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,238   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,240   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,242   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,245   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,247   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,249   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,252   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,254   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,257   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,259   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,262   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,264   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,266   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,269   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,271   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,274   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,276   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,278   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,281   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,283   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,286   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,288   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,290   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,293   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,295   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,298   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,300   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,302   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,304   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,307   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,309   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,312   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,314   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,316   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,319   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,321   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,324   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,327   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,329   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,332   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,334   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,336   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,339   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,341   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,344   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,346   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,348   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,351   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,353   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,356   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,358   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,361   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,363   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,366   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,369   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,371   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,374   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,376   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,378   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,381   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,383   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,385   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,388   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,390   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,393   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,395   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,398   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,400   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,403   copying xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:27:51,405   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,406   copying xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,408   copying xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,411   copying xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,413   copying xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,416   copying xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,418   copying xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,420   copying xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,423   copying xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,425   copying xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,427   copying xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,430   copying xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,432   copying xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,434   copying xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,436   copying xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,438   copying xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,441   copying xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:27:51,443   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,444   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,446   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,448   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,451   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,453   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,455   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,457   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,459   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,462   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,464   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,466   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,468   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,470   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,472   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,475   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,477   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,480   copying xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,482   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,484   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,487   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,489   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,492   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,494   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,496   copying xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,498   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,500   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,503   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,505   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,507   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,509   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,511   copying xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,514   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,516   copying xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,518   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,521   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,523   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,525   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,527   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,530   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,532   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,534   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,536   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,538   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,541   copying xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,543   copying xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,545   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,547   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,550   copying xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,552   copying xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,554   copying xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,556   copying xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,559   copying xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,561   copying xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,563   copying xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,565   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,567   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,569   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,572   copying xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,574   copying xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,576   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,578   copying xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,580   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,583   copying xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,585   copying xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,587   copying xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,589   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,592   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,594   copying xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,596   copying xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,599   copying xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,601   copying xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,603   copying xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:27:51,605   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,606   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,609   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,611   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,613   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,615   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,618   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,620   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,622   copying xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,624   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,627   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,629   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,631   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,633   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,636   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,638   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,640   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,642   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,644   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,647   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,649   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,651   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,654   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,656   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,658   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,661   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,663   copying xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,665   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,667   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,670   copying xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,672   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,674   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,676   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,679   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,681   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,683   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,685   copying xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,688   copying xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,690   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,692   copying xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,695   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,697   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,700   copying xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,702   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,704   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,707   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,709   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,712   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,714   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,716   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,719   copying xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,722   copying xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,724   copying xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,726   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,729   copying xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,731   copying xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,734   copying xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,736   copying xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,738   copying xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,741   copying xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,743   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,746   copying xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,748   copying xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,750   copying xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,753   copying xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,755   copying xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,757   copying xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:27:51,760   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,761   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,763   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,766   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,768   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,770   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,773   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,775   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,778   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,780   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,782   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,785   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,787   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,789   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,792   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,794   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,796   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,799   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,801   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,804   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,806   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,808   copying xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:27:51,810   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,811   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,814   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,816   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,818   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,821   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,823   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,825   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,828   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,830   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,832   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,835   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,837   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,840   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,843   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,846   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,848   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,851   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,854   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,857   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,860   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,863   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,866   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,869   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,872   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,875   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,878   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,881   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,884   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,887   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,890   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,893   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,896   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,898   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,901   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,904   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,907   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,911   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,913   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,917   copying xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:27:51,920   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,921   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,924   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,927   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,930   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,933   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,936   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,939   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,942   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,945   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,947   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,950   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,952   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,954   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,957   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,959   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,961   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,963   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,966   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,968   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,970   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,973   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,975   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,977   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,979   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,982   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,984   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,987   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,989   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,991   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,994   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,996   copying xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:27:51,998   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,000   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,003   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,005   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,007   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,009   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,011   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,013   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,016   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,018   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,020   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,023   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,025   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,027   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,029   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,032   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,034   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,036   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,039   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,041   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,044   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,046   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,048   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,051   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,053   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,056   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,058   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,060   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,063   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,065   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,067   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,070   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,072   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,074   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,076   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,079   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,081   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,083   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,086   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,088   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,090   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,093   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,095   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,097   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,100   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,102   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,105   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,107   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,109   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,112   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,114   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,116   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,118   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,121   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,123   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,126   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,129   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,132   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,134   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,137   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,139   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,142   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,144   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,147   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,149   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,151   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,154   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,156   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,158   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,161   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,163   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,166   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,168   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,170   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,172   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,175   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,177   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,179   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,182   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,184   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,186   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,189   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,191   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,193   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,196   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,198   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,200   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,202   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,205   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,207   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,209   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,212   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,214   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,216   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,218   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,221   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,223   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,225   copying xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:27:52,227   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,228   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,231   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,233   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,236   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,238   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,240   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,243   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,245   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,247   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,250   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,252   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,255   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,257   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,259   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,262   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,264   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,266   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,269   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,271   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,274   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,276   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,278   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,280   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,283   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,285   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,287   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,289   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,292   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,294   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,296   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,299   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,301   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,303   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,306   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,308   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,311   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,313   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,315   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,318   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,320   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,323   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,325   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,328   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,331   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,333   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,335   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,338   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,340   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,343   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,345   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,347   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,350   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,352   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,355   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,357   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,360   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,362   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,364   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,367   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,369   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,371   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,374   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,376   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,379   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,381   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,384   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,387   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,389   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,392   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,394   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,396   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,399   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,401   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,404   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,406   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,408   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,411   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,413   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,416   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,418   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,420   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,423   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,425   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,428   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,430   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,433   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,435   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,438   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,440   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,443   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,445   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,447   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,450   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,452   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,454   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,457   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,459   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,462   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,464   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,467   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,469   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,472   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,474   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,476   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,479   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,481   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,484   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,486   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,488   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,491   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,493   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,495   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,498   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,500   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,503   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,505   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,507   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,510   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,512   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,515   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,517   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,519   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,522   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,524   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,527   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,530   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,532   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,535   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,537   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,539   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,542   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,544   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,547   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,549   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,551   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,554   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,556   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,559   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,561   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,563   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,566   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,568   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,571   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,573   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,576   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,578   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,580   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,583   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,585   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,587   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,590   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,592   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,594   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,597   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,599   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,601   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,604   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,606   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,608   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,611   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,614   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,616   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,618   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,621   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,623   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,626   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,628   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,630   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,633   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,635   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,637   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,640   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,642   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,645   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,647   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,649   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,651   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,654   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,656   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,658   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,661   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,663   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,665   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,668   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,670   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,672   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,675   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,677   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,680   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,682   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,684   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,687   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,690   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,692   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,695   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,697   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,699   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,702   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,704   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,706   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,709   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,711   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,713   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,716   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,718   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,720   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,723   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,725   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,727   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,730   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,732   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,735   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,737   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,739   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,742   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,744   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,746   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,749   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,751   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,753   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,756   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,758   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,760   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,763   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,765   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,767   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,770   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,772   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,774   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,777   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,779   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,782   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,784   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,787   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,789   copying xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:27:52,791   creating build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,792   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,794   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,797   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,799   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,802   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,804   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,806   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,809   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,811   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,814   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,816   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,818   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,821   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,823   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,826   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,828   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,830   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,832   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,835   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,837   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,839   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,842   copying xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,844   copying xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,846   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,848   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,851   copying xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,853   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,855   copying xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,858   copying xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,860   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,862   copying xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,865   copying xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,867   copying xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,869   copying xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,872   copying xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,874   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,876   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,879   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,881   copying xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,884   copying xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,886   copying xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,888   copying xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz -> build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:27:52,890   creating build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,891   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,894   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,896   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,900   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,902   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,906   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,909   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,911   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,914   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,916   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,919   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,921   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,924   copying xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,927   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,929   copying xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,932   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,935   copying xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,937   copying xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,939   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,942   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,944   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,946   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,949   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,951   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,953   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,956   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,958   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,961   copying xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,965   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,967   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,969   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,972   copying xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,974   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,976   copying xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,979   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,981   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,983   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,986   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,988   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,990   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,994   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,996   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:52,999   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,002   copying xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,004   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,007   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,009   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,012   copying xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,015   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,018   copying xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,020   copying xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,022   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,024   copying xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,027   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,029   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,032   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,034   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,037   copying xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,040   copying xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,042   copying xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,045   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,047   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,049   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,052   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,054   copying xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,057   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,059   copying xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,062   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,065   copying xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,067   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,069   copying xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,072   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,074   copying xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,077   copying xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,079   copying xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,082   copying xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,084   copying xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,087   copying xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:53,090   copying xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/lib/xcbm/MGCDB84_Dataset
2025-06-01T03:27:57,510   installing to build/bdist.linux-armv7l/wheel
2025-06-01T03:27:57,510   running install
2025-06-01T03:27:57,533   running install_lib
2025-06-01T03:27:57,540   creating build/bdist.linux-armv7l/wheel
2025-06-01T03:27:57,542   creating build/bdist.linux-armv7l/wheel/xcbm
2025-06-01T03:27:57,543   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset
2025-06-01T03:27:57,544   copying build/lib/xcbm/MGCDB84_Dataset/DatasetEval.csv -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset
2025-06-01T03:27:57,576   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,577   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,579   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,581   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,584   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,586   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,589   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,592   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,593   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,595   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,597   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,599   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,600   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,602   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,604   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,606   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,608   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,610   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,612   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,614   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,616   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,617   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,619   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,621   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,623   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,624   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,626   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,628   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,630   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,633   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,634   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,636   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,638   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,640   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,642   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,643   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,645   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,647   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,648   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,650   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,652   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,655   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,656   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,658   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,661   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,663   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,665   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,667   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,669   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,673   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,675   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,677   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,678   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,680   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,682   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,684   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,686   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,689   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,690   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,692   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,694   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,695   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,697   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,699   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,700   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,702   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,704   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,706   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,708   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,710   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,712   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,714   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,716   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,718   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,719   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,721   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,723   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,725   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,727   copying build/lib/xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Reaction_Energy
2025-06-01T03:27:57,731   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries
2025-06-01T03:27:57,740   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,741   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
2025-06-01T03:27:57,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,755   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
2025-06-01T03:27:57,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,762   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
2025-06-01T03:27:57,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,766   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
2025-06-01T03:27:57,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,769   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
2025-06-01T03:27:57,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,773   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
2025-06-01T03:27:57,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,776   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
2025-06-01T03:27:57,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,780   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
2025-06-01T03:27:57,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,783   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
2025-06-01T03:27:57,785   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
2025-06-01T03:27:57,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,792   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
2025-06-01T03:27:57,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,802   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
2025-06-01T03:27:57,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,821   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
2025-06-01T03:27:57,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,826   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
2025-06-01T03:27:57,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,830   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
2025-06-01T03:27:57,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,833   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
2025-06-01T03:27:57,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,840   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
2025-06-01T03:27:57,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,844   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
2025-06-01T03:27:57,845   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
2025-06-01T03:27:57,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,849   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
2025-06-01T03:27:57,851   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
2025-06-01T03:27:57,852   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
2025-06-01T03:27:57,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,861   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
2025-06-01T03:27:57,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,869   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
2025-06-01T03:27:57,871   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
2025-06-01T03:27:57,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,878   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
2025-06-01T03:27:57,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,884   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
2025-06-01T03:27:57,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,890   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
2025-06-01T03:27:57,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,906   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
2025-06-01T03:27:57,908   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
2025-06-01T03:27:57,909   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
2025-06-01T03:27:57,911   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
2025-06-01T03:27:57,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,918   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
2025-06-01T03:27:57,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,925   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
2025-06-01T03:27:57,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,937   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
2025-06-01T03:27:57,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,952   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
2025-06-01T03:27:57,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,957   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
2025-06-01T03:27:57,959   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
2025-06-01T03:27:57,960   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
2025-06-01T03:27:57,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,975   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
2025-06-01T03:27:57,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,978   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
2025-06-01T03:27:57,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,984   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
2025-06-01T03:27:57,986   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
2025-06-01T03:27:57,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:57,996   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
2025-06-01T03:27:57,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,005   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
2025-06-01T03:27:58,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,019   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
2025-06-01T03:27:58,021   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
2025-06-01T03:27:58,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,034   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
2025-06-01T03:27:58,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,061   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
2025-06-01T03:27:58,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,069   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
2025-06-01T03:27:58,070   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
2025-06-01T03:27:58,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,076   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
2025-06-01T03:27:58,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,085   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
2025-06-01T03:27:58,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,092   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
2025-06-01T03:27:58,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,097   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
2025-06-01T03:27:58,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,100   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
2025-06-01T03:27:58,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,106   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
2025-06-01T03:27:58,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,117   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
2025-06-01T03:27:58,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,126   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
2025-06-01T03:27:58,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,131   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
2025-06-01T03:27:58,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,139   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
2025-06-01T03:27:58,141   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
2025-06-01T03:27:58,142   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
2025-06-01T03:27:58,144   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
2025-06-01T03:27:58,146   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
2025-06-01T03:27:58,148   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
2025-06-01T03:27:58,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,156   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
2025-06-01T03:27:58,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,164   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
2025-06-01T03:27:58,165   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
2025-06-01T03:27:58,167   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
2025-06-01T03:27:58,168   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
2025-06-01T03:27:58,170   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
2025-06-01T03:27:58,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,175   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
2025-06-01T03:27:58,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,181   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
2025-06-01T03:27:58,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,184   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
2025-06-01T03:27:58,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,188   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
2025-06-01T03:27:58,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,191   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
2025-06-01T03:27:58,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,196   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
2025-06-01T03:27:58,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,200   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
2025-06-01T03:27:58,201   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
2025-06-01T03:27:58,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,205   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
2025-06-01T03:27:58,206   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
2025-06-01T03:27:58,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,210   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
2025-06-01T03:27:58,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,213   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
2025-06-01T03:27:58,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,217   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
2025-06-01T03:27:58,219   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
2025-06-01T03:27:58,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,229   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
2025-06-01T03:27:58,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,233   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
2025-06-01T03:27:58,235   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
2025-06-01T03:27:58,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,238   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
2025-06-01T03:27:58,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,249   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
2025-06-01T03:27:58,250   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
2025-06-01T03:27:58,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,254   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
2025-06-01T03:27:58,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,262   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
2025-06-01T03:27:58,264   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
2025-06-01T03:27:58,266   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
2025-06-01T03:27:58,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,269   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
2025-06-01T03:27:58,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,280   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
2025-06-01T03:27:58,282   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
2025-06-01T03:27:58,283   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
2025-06-01T03:27:58,285   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
2025-06-01T03:27:58,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,288   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
2025-06-01T03:27:58,290   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
2025-06-01T03:27:58,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,302   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
2025-06-01T03:27:58,304   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
2025-06-01T03:27:58,305   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
2025-06-01T03:27:58,307   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
2025-06-01T03:27:58,309   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
2025-06-01T03:27:58,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,324   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
2025-06-01T03:27:58,325   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
2025-06-01T03:27:58,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,336   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
2025-06-01T03:27:58,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,340   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
2025-06-01T03:27:58,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,343   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
2025-06-01T03:27:58,345   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
2025-06-01T03:27:58,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,349   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
2025-06-01T03:27:58,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,353   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
2025-06-01T03:27:58,354   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
2025-06-01T03:27:58,356   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
2025-06-01T03:27:58,358   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
2025-06-01T03:27:58,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,362   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
2025-06-01T03:27:58,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,370   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
2025-06-01T03:27:58,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,373   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
2025-06-01T03:27:58,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,377   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
2025-06-01T03:27:58,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,390   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
2025-06-01T03:27:58,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,395   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
2025-06-01T03:27:58,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,412   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
2025-06-01T03:27:58,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,421   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
2025-06-01T03:27:58,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,430   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
2025-06-01T03:27:58,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,438   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
2025-06-01T03:27:58,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,471   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
2025-06-01T03:27:58,473   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
2025-06-01T03:27:58,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,478   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
2025-06-01T03:27:58,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,481   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
2025-06-01T03:27:58,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,490   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
2025-06-01T03:27:58,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,496   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
2025-06-01T03:27:58,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,512   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
2025-06-01T03:27:58,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,516   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
2025-06-01T03:27:58,518   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
2025-06-01T03:27:58,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,521   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
2025-06-01T03:27:58,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,527   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
2025-06-01T03:27:58,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,533   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
2025-06-01T03:27:58,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,539   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
2025-06-01T03:27:58,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,550   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
2025-06-01T03:27:58,552   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
2025-06-01T03:27:58,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,560   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
2025-06-01T03:27:58,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,585   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
2025-06-01T03:27:58,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/rough
2025-06-01T03:27:58,589   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
2025-06-01T03:27:58,592   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,596   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
2025-06-01T03:27:58,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,600   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
2025-06-01T03:27:58,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,605   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
2025-06-01T03:27:58,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,633   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
2025-06-01T03:27:58,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,643   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
2025-06-01T03:27:58,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,663   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
2025-06-01T03:27:58,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NC15
2025-06-01T03:27:58,675   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB15
2025-06-01T03:27:58,757   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT6
2025-06-01T03:27:58,781   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CE20
2025-06-01T03:27:58,828   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:58,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,129   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10
2025-06-01T03:27:59,206   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsod14
2025-06-01T03:27:59,242   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A21x12
2025-06-01T03:27:59,243   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
2025-06-01T03:27:59,245   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
2025-06-01T03:27:59,247   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
2025-06-01T03:27:59,249   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
2025-06-01T03:27:59,250   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
2025-06-01T03:27:59,252   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
2025-06-01T03:27:59,254   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
2025-06-01T03:27:59,256   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
2025-06-01T03:27:59,257   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
2025-06-01T03:27:59,259   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
2025-06-01T03:27:59,261   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
2025-06-01T03:27:59,263   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
2025-06-01T03:27:59,264   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
2025-06-01T03:27:59,266   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
2025-06-01T03:27:59,268   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
2025-06-01T03:27:59,270   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
2025-06-01T03:27:59,272   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
2025-06-01T03:27:59,274   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
2025-06-01T03:27:59,275   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
2025-06-01T03:27:59,277   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
2025-06-01T03:27:59,279   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
2025-06-01T03:27:59,281   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
2025-06-01T03:27:59,283   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
2025-06-01T03:27:59,285   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
2025-06-01T03:27:59,287   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
2025-06-01T03:27:59,288   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
2025-06-01T03:27:59,290   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
2025-06-01T03:27:59,292   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
2025-06-01T03:27:59,294   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
2025-06-01T03:27:59,295   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
2025-06-01T03:27:59,297   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
2025-06-01T03:27:59,299   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
2025-06-01T03:27:59,301   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
2025-06-01T03:27:59,303   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
2025-06-01T03:27:59,304   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
2025-06-01T03:27:59,306   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
2025-06-01T03:27:59,308   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
2025-06-01T03:27:59,310   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
2025-06-01T03:27:59,312   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
2025-06-01T03:27:59,313   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
2025-06-01T03:27:59,315   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
2025-06-01T03:27:59,317   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
2025-06-01T03:27:59,319   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
2025-06-01T03:27:59,321   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
2025-06-01T03:27:59,323   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
2025-06-01T03:27:59,324   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
2025-06-01T03:27:59,326   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
2025-06-01T03:27:59,328   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
2025-06-01T03:27:59,330   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
2025-06-01T03:27:59,332   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
2025-06-01T03:27:59,333   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
2025-06-01T03:27:59,335   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
2025-06-01T03:27:59,337   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
2025-06-01T03:27:59,339   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
2025-06-01T03:27:59,341   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
2025-06-01T03:27:59,343   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
2025-06-01T03:27:59,344   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
2025-06-01T03:27:59,346   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
2025-06-01T03:27:59,348   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
2025-06-01T03:27:59,350   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
2025-06-01T03:27:59,352   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
2025-06-01T03:27:59,354   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
2025-06-01T03:27:59,356   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
2025-06-01T03:27:59,358   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
2025-06-01T03:27:59,359   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
2025-06-01T03:27:59,361   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
2025-06-01T03:27:59,363   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
2025-06-01T03:27:59,365   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
2025-06-01T03:27:59,367   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
2025-06-01T03:27:59,369   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
2025-06-01T03:27:59,370   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
2025-06-01T03:27:59,372   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
2025-06-01T03:27:59,374   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
2025-06-01T03:27:59,376   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
2025-06-01T03:27:59,377   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
2025-06-01T03:27:59,379   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
2025-06-01T03:27:59,381   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
2025-06-01T03:27:59,383   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
2025-06-01T03:27:59,384   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
2025-06-01T03:27:59,386   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
2025-06-01T03:27:59,388   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
2025-06-01T03:27:59,390   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
2025-06-01T03:27:59,392   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
2025-06-01T03:27:59,394   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
2025-06-01T03:27:59,396   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
2025-06-01T03:27:59,398   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
2025-06-01T03:27:59,400   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
2025-06-01T03:27:59,401   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
2025-06-01T03:27:59,403   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
2025-06-01T03:27:59,405   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
2025-06-01T03:27:59,407   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
2025-06-01T03:27:59,409   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
2025-06-01T03:27:59,410   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
2025-06-01T03:27:59,412   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
2025-06-01T03:27:59,414   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
2025-06-01T03:27:59,416   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
2025-06-01T03:27:59,417   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
2025-06-01T03:27:59,419   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
2025-06-01T03:27:59,421   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
2025-06-01T03:27:59,423   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
2025-06-01T03:27:59,425   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
2025-06-01T03:27:59,426   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
2025-06-01T03:27:59,428   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
2025-06-01T03:27:59,430   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
2025-06-01T03:27:59,432   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
2025-06-01T03:27:59,433   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
2025-06-01T03:27:59,435   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
2025-06-01T03:27:59,437   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
2025-06-01T03:27:59,439   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
2025-06-01T03:27:59,440   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
2025-06-01T03:27:59,442   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
2025-06-01T03:27:59,444   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
2025-06-01T03:27:59,445   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
2025-06-01T03:27:59,447   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
2025-06-01T03:27:59,449   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
2025-06-01T03:27:59,450   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
2025-06-01T03:27:59,452   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
2025-06-01T03:27:59,454   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
2025-06-01T03:27:59,455   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
2025-06-01T03:27:59,457   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
2025-06-01T03:27:59,459   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
2025-06-01T03:27:59,461   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
2025-06-01T03:27:59,463   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
2025-06-01T03:27:59,464   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
2025-06-01T03:27:59,466   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
2025-06-01T03:27:59,468   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
2025-06-01T03:27:59,470   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
2025-06-01T03:27:59,471   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
2025-06-01T03:27:59,473   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
2025-06-01T03:27:59,475   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
2025-06-01T03:27:59,477   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
2025-06-01T03:27:59,478   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
2025-06-01T03:27:59,480   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
2025-06-01T03:27:59,482   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
2025-06-01T03:27:59,483   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
2025-06-01T03:27:59,485   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
2025-06-01T03:27:59,487   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
2025-06-01T03:27:59,489   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
2025-06-01T03:27:59,490   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
2025-06-01T03:27:59,492   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
2025-06-01T03:27:59,494   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
2025-06-01T03:27:59,496   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
2025-06-01T03:27:59,497   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
2025-06-01T03:27:59,499   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
2025-06-01T03:27:59,501   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
2025-06-01T03:27:59,503   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
2025-06-01T03:27:59,505   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
2025-06-01T03:27:59,507   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
2025-06-01T03:27:59,509   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
2025-06-01T03:27:59,510   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
2025-06-01T03:27:59,512   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
2025-06-01T03:27:59,514   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
2025-06-01T03:27:59,516   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
2025-06-01T03:27:59,518   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
2025-06-01T03:27:59,520   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
2025-06-01T03:27:59,522   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
2025-06-01T03:27:59,524   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
2025-06-01T03:27:59,526   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
2025-06-01T03:27:59,528   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
2025-06-01T03:27:59,530   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
2025-06-01T03:27:59,532   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
2025-06-01T03:27:59,533   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
2025-06-01T03:27:59,536   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
2025-06-01T03:27:59,537   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
2025-06-01T03:27:59,539   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
2025-06-01T03:27:59,541   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
2025-06-01T03:27:59,543   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
2025-06-01T03:27:59,545   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
2025-06-01T03:27:59,547   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
2025-06-01T03:27:59,549   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
2025-06-01T03:27:59,551   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
2025-06-01T03:27:59,553   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
2025-06-01T03:27:59,555   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
2025-06-01T03:27:59,557   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
2025-06-01T03:27:59,559   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
2025-06-01T03:27:59,561   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
2025-06-01T03:27:59,562   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
2025-06-01T03:27:59,564   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
2025-06-01T03:27:59,566   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
2025-06-01T03:27:59,568   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
2025-06-01T03:27:59,570   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
2025-06-01T03:27:59,572   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
2025-06-01T03:27:59,574   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
2025-06-01T03:27:59,576   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
2025-06-01T03:27:59,578   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
2025-06-01T03:27:59,580   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
2025-06-01T03:27:59,582   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
2025-06-01T03:27:59,584   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
2025-06-01T03:27:59,586   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
2025-06-01T03:27:59,587   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
2025-06-01T03:27:59,590   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
2025-06-01T03:27:59,592   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
2025-06-01T03:27:59,594   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
2025-06-01T03:27:59,596   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
2025-06-01T03:27:59,597   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
2025-06-01T03:27:59,599   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
2025-06-01T03:27:59,601   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
2025-06-01T03:27:59,603   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
2025-06-01T03:27:59,605   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
2025-06-01T03:27:59,607   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
2025-06-01T03:27:59,609   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
2025-06-01T03:27:59,611   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
2025-06-01T03:27:59,613   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
2025-06-01T03:27:59,614   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
2025-06-01T03:27:59,616   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
2025-06-01T03:27:59,618   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
2025-06-01T03:27:59,620   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
2025-06-01T03:27:59,622   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
2025-06-01T03:27:59,624   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
2025-06-01T03:27:59,626   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
2025-06-01T03:27:59,628   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
2025-06-01T03:27:59,630   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
2025-06-01T03:27:59,632   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
2025-06-01T03:27:59,634   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
2025-06-01T03:27:59,636   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
2025-06-01T03:27:59,637   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
2025-06-01T03:27:59,639   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
2025-06-01T03:27:59,641   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
2025-06-01T03:27:59,643   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
2025-06-01T03:27:59,645   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
2025-06-01T03:27:59,646   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
2025-06-01T03:27:59,648   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
2025-06-01T03:27:59,650   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
2025-06-01T03:27:59,652   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
2025-06-01T03:27:59,653   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
2025-06-01T03:27:59,655   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
2025-06-01T03:27:59,657   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
2025-06-01T03:27:59,659   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
2025-06-01T03:27:59,661   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
2025-06-01T03:27:59,662   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
2025-06-01T03:27:59,664   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
2025-06-01T03:27:59,666   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
2025-06-01T03:27:59,668   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
2025-06-01T03:27:59,670   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
2025-06-01T03:27:59,672   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
2025-06-01T03:27:59,674   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
2025-06-01T03:27:59,676   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
2025-06-01T03:27:59,678   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
2025-06-01T03:27:59,680   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
2025-06-01T03:27:59,681   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
2025-06-01T03:27:59,683   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
2025-06-01T03:27:59,685   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
2025-06-01T03:27:59,686   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
2025-06-01T03:27:59,688   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
2025-06-01T03:27:59,690   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
2025-06-01T03:27:59,692   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
2025-06-01T03:27:59,694   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
2025-06-01T03:27:59,696   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
2025-06-01T03:27:59,698   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
2025-06-01T03:27:59,700   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
2025-06-01T03:27:59,702   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
2025-06-01T03:27:59,703   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
2025-06-01T03:27:59,705   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
2025-06-01T03:27:59,707   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
2025-06-01T03:27:59,709   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
2025-06-01T03:27:59,711   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
2025-06-01T03:27:59,713   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
2025-06-01T03:27:59,715   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
2025-06-01T03:27:59,717   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
2025-06-01T03:27:59,718   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
2025-06-01T03:27:59,721   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
2025-06-01T03:27:59,723   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
2025-06-01T03:27:59,725   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
2025-06-01T03:27:59,727   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
2025-06-01T03:27:59,729   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
2025-06-01T03:27:59,731   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
2025-06-01T03:27:59,733   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
2025-06-01T03:27:59,735   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
2025-06-01T03:27:59,737   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
2025-06-01T03:27:59,738   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
2025-06-01T03:27:59,741   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
2025-06-01T03:27:59,743   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
2025-06-01T03:27:59,745   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
2025-06-01T03:27:59,747   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
2025-06-01T03:27:59,749   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
2025-06-01T03:27:59,751   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
2025-06-01T03:27:59,753   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
2025-06-01T03:27:59,755   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
2025-06-01T03:27:59,756   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
2025-06-01T03:27:59,758   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
2025-06-01T03:27:59,761   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
2025-06-01T03:27:59,763   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
2025-06-01T03:27:59,764   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
2025-06-01T03:27:59,766   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
2025-06-01T03:27:59,768   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
2025-06-01T03:27:59,771   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
2025-06-01T03:27:59,773   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
2025-06-01T03:27:59,775   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
2025-06-01T03:27:59,776   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
2025-06-01T03:27:59,778   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
2025-06-01T03:27:59,780   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
2025-06-01T03:27:59,782   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
2025-06-01T03:27:59,784   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
2025-06-01T03:27:59,786   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
2025-06-01T03:27:59,789   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Shields38
2025-06-01T03:27:59,870   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:27:59,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HB49
2025-06-01T03:28:00,031   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,066   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
2025-06-01T03:28:00,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,108   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
2025-06-01T03:28:00,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,144   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
2025-06-01T03:28:00,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,153   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
2025-06-01T03:28:00,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,174   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
2025-06-01T03:28:00,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
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2025-06-01T03:28:00,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,364   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
2025-06-01T03:28:00,366   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
2025-06-01T03:28:00,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,372   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
2025-06-01T03:28:00,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,390   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
2025-06-01T03:28:00,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,397   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
2025-06-01T03:28:00,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,419   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
2025-06-01T03:28:00,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,423   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
2025-06-01T03:28:00,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBC10
2025-06-01T03:28:00,429   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16
2025-06-01T03:28:00,430   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
2025-06-01T03:28:00,432   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
2025-06-01T03:28:00,434   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
2025-06-01T03:28:00,436   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
2025-06-01T03:28:00,438   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
2025-06-01T03:28:00,440   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
2025-06-01T03:28:00,441   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
2025-06-01T03:28:00,443   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
2025-06-01T03:28:00,445   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
2025-06-01T03:28:00,447   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
2025-06-01T03:28:00,449   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
2025-06-01T03:28:00,451   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
2025-06-01T03:28:00,453   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
2025-06-01T03:28:00,455   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
2025-06-01T03:28:00,457   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
2025-06-01T03:28:00,458   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
2025-06-01T03:28:00,460   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
2025-06-01T03:28:00,462   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
2025-06-01T03:28:00,464   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
2025-06-01T03:28:00,466   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
2025-06-01T03:28:00,468   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
2025-06-01T03:28:00,469   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
2025-06-01T03:28:00,471   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
2025-06-01T03:28:00,473   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
2025-06-01T03:28:00,475   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
2025-06-01T03:28:00,476   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
2025-06-01T03:28:00,479   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
2025-06-01T03:28:00,480   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
2025-06-01T03:28:00,482   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
2025-06-01T03:28:00,484   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
2025-06-01T03:28:00,486   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
2025-06-01T03:28:00,488   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
2025-06-01T03:28:00,490   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
2025-06-01T03:28:00,492   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
2025-06-01T03:28:00,493   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
2025-06-01T03:28:00,495   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
2025-06-01T03:28:00,497   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
2025-06-01T03:28:00,499   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
2025-06-01T03:28:00,501   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
2025-06-01T03:28:00,503   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
2025-06-01T03:28:00,504   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
2025-06-01T03:28:00,506   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
2025-06-01T03:28:00,508   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
2025-06-01T03:28:00,510   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
2025-06-01T03:28:00,512   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
2025-06-01T03:28:00,514   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
2025-06-01T03:28:00,516   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
2025-06-01T03:28:00,517   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
2025-06-01T03:28:00,520   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5
2025-06-01T03:28:00,531   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Pentane14
2025-06-01T03:28:00,560   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,611   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CRBH20
2025-06-01T03:28:00,639   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/X40
2025-06-01T03:28:00,819   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:00,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/FmH2O10
2025-06-01T03:28:01,043   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,052   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Ionic43
2025-06-01T03:28:01,292   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21EA
2025-06-01T03:28:01,392   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:01,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,002   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,014   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/RG10
2025-06-01T03:28:02,439   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB51
2025-06-01T03:28:02,506   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkAtom19
2025-06-01T03:28:02,547   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,594   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,613   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HTBH38
2025-06-01T03:28:02,620   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,659   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CT20
2025-06-01T03:28:02,728   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EA13
2025-06-01T03:28:02,778   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,779   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
2025-06-01T03:28:02,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,785   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
2025-06-01T03:28:02,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,789   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
2025-06-01T03:28:02,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,802   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
2025-06-01T03:28:02,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,808   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
2025-06-01T03:28:02,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ACONF
2025-06-01T03:28:02,811   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
2025-06-01T03:28:02,814   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6
2025-06-01T03:28:02,830   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6
2025-06-01T03:28:02,832   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6
2025-06-01T03:28:02,850   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,853   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
2025-06-01T03:28:02,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,856   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
2025-06-01T03:28:02,858   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
2025-06-01T03:28:02,860   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
2025-06-01T03:28:02,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,868   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
2025-06-01T03:28:02,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,885   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
2025-06-01T03:28:02,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,888   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
2025-06-01T03:28:02,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,909   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
2025-06-01T03:28:02,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,924   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
2025-06-01T03:28:02,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,929   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
2025-06-01T03:28:02,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,935   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
2025-06-01T03:28:02,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,944   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
2025-06-01T03:28:02,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8
2025-06-01T03:28:02,957   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:02,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:03,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:03,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:03,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WATER27
2025-06-01T03:28:03,008   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,019   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,075   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,077   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,083   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
2025-06-01T03:28:03,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,089   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
2025-06-01T03:28:03,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,106   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
2025-06-01T03:28:03,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,116   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,123   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,125   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,127   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HSG
2025-06-01T03:28:03,130   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18
2025-06-01T03:28:03,201   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SN13
2025-06-01T03:28:03,242   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NHTBH38
2025-06-01T03:28:03,331   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel345
2025-06-01T03:28:03,392   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,426   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/IP13
2025-06-01T03:28:03,443   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6F
2025-06-01T03:28:03,504   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Butanediol65
2025-06-01T03:28:03,627   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,661   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BSR36
2025-06-01T03:28:03,703   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Styrene45
2025-06-01T03:28:03,790   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,793   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
2025-06-01T03:28:03,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,797   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
2025-06-01T03:28:03,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,812   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
2025-06-01T03:28:03,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,817   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
2025-06-01T03:28:03,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,828   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
2025-06-01T03:28:03,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,832   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
2025-06-01T03:28:03,833   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
2025-06-01T03:28:03,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,850   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
2025-06-01T03:28:03,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkBind12
2025-06-01T03:28:03,856   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
2025-06-01T03:28:03,858   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Rel6
2025-06-01T03:28:03,895   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/platonicHD6
2025-06-01T03:28:03,921   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:03,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,048   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,070   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,143   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,154   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,156   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,316   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,335   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,400   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,409   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,424   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,691   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,693   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,695   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,773   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/YMPJ519
2025-06-01T03:28:04,896   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/XB18
2025-06-01T03:28:04,923   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:28:04,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:28:04,926   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:28:04,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:28:04,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4
2025-06-01T03:28:04,933   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TA13
2025-06-01T03:28:04,987   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM
2025-06-01T03:28:04,989   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
2025-06-01T03:28:04,991   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
2025-06-01T03:28:04,992   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
2025-06-01T03:28:04,994   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
2025-06-01T03:28:04,996   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
2025-06-01T03:28:04,998   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
2025-06-01T03:28:05,000   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
2025-06-01T03:28:05,002   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
2025-06-01T03:28:05,003   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
2025-06-01T03:28:05,005   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
2025-06-01T03:28:05,007   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
2025-06-01T03:28:05,009   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
2025-06-01T03:28:05,011   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
2025-06-01T03:28:05,013   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
2025-06-01T03:28:05,015   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
2025-06-01T03:28:05,016   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
2025-06-01T03:28:05,018   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
2025-06-01T03:28:05,020   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
2025-06-01T03:28:05,022   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
2025-06-01T03:28:05,024   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
2025-06-01T03:28:05,025   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
2025-06-01T03:28:05,027   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
2025-06-01T03:28:05,029   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
2025-06-01T03:28:05,031   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
2025-06-01T03:28:05,033   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
2025-06-01T03:28:05,035   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
2025-06-01T03:28:05,036   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
2025-06-01T03:28:05,038   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
2025-06-01T03:28:05,040   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
2025-06-01T03:28:05,042   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
2025-06-01T03:28:05,044   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
2025-06-01T03:28:05,046   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
2025-06-01T03:28:05,048   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
2025-06-01T03:28:05,050   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
2025-06-01T03:28:05,052   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
2025-06-01T03:28:05,053   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
2025-06-01T03:28:05,055   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
2025-06-01T03:28:05,057   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
2025-06-01T03:28:05,059   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
2025-06-01T03:28:05,061   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
2025-06-01T03:28:05,062   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
2025-06-01T03:28:05,064   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
2025-06-01T03:28:05,066   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
2025-06-01T03:28:05,068   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
2025-06-01T03:28:05,070   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
2025-06-01T03:28:05,072   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
2025-06-01T03:28:05,074   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
2025-06-01T03:28:05,075   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
2025-06-01T03:28:05,077   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
2025-06-01T03:28:05,079   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
2025-06-01T03:28:05,081   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
2025-06-01T03:28:05,083   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
2025-06-01T03:28:05,085   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
2025-06-01T03:28:05,086   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
2025-06-01T03:28:05,088   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
2025-06-01T03:28:05,090   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
2025-06-01T03:28:05,092   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
2025-06-01T03:28:05,094   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
2025-06-01T03:28:05,096   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
2025-06-01T03:28:05,097   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
2025-06-01T03:28:05,099   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
2025-06-01T03:28:05,101   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
2025-06-01T03:28:05,103   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
2025-06-01T03:28:05,105   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
2025-06-01T03:28:05,107   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
2025-06-01T03:28:05,109   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
2025-06-01T03:28:05,111   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
2025-06-01T03:28:05,113   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
2025-06-01T03:28:05,114   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
2025-06-01T03:28:05,116   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
2025-06-01T03:28:05,118   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
2025-06-01T03:28:05,120   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
2025-06-01T03:28:05,122   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
2025-06-01T03:28:05,124   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
2025-06-01T03:28:05,126   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
2025-06-01T03:28:05,127   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
2025-06-01T03:28:05,129   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
2025-06-01T03:28:05,131   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
2025-06-01T03:28:05,133   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
2025-06-01T03:28:05,135   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
2025-06-01T03:28:05,136   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
2025-06-01T03:28:05,138   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
2025-06-01T03:28:05,140   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
2025-06-01T03:28:05,142   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
2025-06-01T03:28:05,144   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
2025-06-01T03:28:05,146   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
2025-06-01T03:28:05,148   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
2025-06-01T03:28:05,150   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
2025-06-01T03:28:05,151   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
2025-06-01T03:28:05,153   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
2025-06-01T03:28:05,155   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
2025-06-01T03:28:05,157   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
2025-06-01T03:28:05,159   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
2025-06-01T03:28:05,161   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
2025-06-01T03:28:05,163   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
2025-06-01T03:28:05,164   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
2025-06-01T03:28:05,166   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
2025-06-01T03:28:05,168   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
2025-06-01T03:28:05,170   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
2025-06-01T03:28:05,171   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
2025-06-01T03:28:05,173   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
2025-06-01T03:28:05,175   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
2025-06-01T03:28:05,176   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
2025-06-01T03:28:05,178   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
2025-06-01T03:28:05,180   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
2025-06-01T03:28:05,182   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
2025-06-01T03:28:05,184   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
2025-06-01T03:28:05,186   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
2025-06-01T03:28:05,187   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
2025-06-01T03:28:05,190   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
2025-06-01T03:28:05,191   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
2025-06-01T03:28:05,193   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
2025-06-01T03:28:05,195   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
2025-06-01T03:28:05,197   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
2025-06-01T03:28:05,199   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
2025-06-01T03:28:05,201   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
2025-06-01T03:28:05,203   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
2025-06-01T03:28:05,205   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
2025-06-01T03:28:05,207   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
2025-06-01T03:28:05,209   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
2025-06-01T03:28:05,210   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
2025-06-01T03:28:05,212   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
2025-06-01T03:28:05,214   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
2025-06-01T03:28:05,216   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
2025-06-01T03:28:05,218   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
2025-06-01T03:28:05,220   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
2025-06-01T03:28:05,221   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
2025-06-01T03:28:05,223   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
2025-06-01T03:28:05,225   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
2025-06-01T03:28:05,227   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
2025-06-01T03:28:05,229   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
2025-06-01T03:28:05,231   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
2025-06-01T03:28:05,233   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
2025-06-01T03:28:05,235   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
2025-06-01T03:28:05,237   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
2025-06-01T03:28:05,239   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
2025-06-01T03:28:05,241   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
2025-06-01T03:28:05,242   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
2025-06-01T03:28:05,244   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
2025-06-01T03:28:05,246   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
2025-06-01T03:28:05,248   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
2025-06-01T03:28:05,250   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
2025-06-01T03:28:05,252   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
2025-06-01T03:28:05,254   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
2025-06-01T03:28:05,255   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
2025-06-01T03:28:05,257   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
2025-06-01T03:28:05,259   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
2025-06-01T03:28:05,261   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
2025-06-01T03:28:05,263   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
2025-06-01T03:28:05,265   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
2025-06-01T03:28:05,266   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
2025-06-01T03:28:05,269   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
2025-06-01T03:28:05,270   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
2025-06-01T03:28:05,272   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
2025-06-01T03:28:05,274   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
2025-06-01T03:28:05,276   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
2025-06-01T03:28:05,278   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
2025-06-01T03:28:05,280   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
2025-06-01T03:28:05,282   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
2025-06-01T03:28:05,284   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
2025-06-01T03:28:05,285   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
2025-06-01T03:28:05,287   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
2025-06-01T03:28:05,289   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
2025-06-01T03:28:05,291   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
2025-06-01T03:28:05,293   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
2025-06-01T03:28:05,295   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
2025-06-01T03:28:05,297   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
2025-06-01T03:28:05,299   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
2025-06-01T03:28:05,301   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
2025-06-01T03:28:05,303   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
2025-06-01T03:28:05,305   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
2025-06-01T03:28:05,307   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
2025-06-01T03:28:05,308   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
2025-06-01T03:28:05,311   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
2025-06-01T03:28:05,313   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
2025-06-01T03:28:05,315   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
2025-06-01T03:28:05,316   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
2025-06-01T03:28:05,318   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
2025-06-01T03:28:05,320   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
2025-06-01T03:28:05,322   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
2025-06-01T03:28:05,324   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
2025-06-01T03:28:05,326   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
2025-06-01T03:28:05,328   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
2025-06-01T03:28:05,330   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
2025-06-01T03:28:05,332   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
2025-06-01T03:28:05,333   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
2025-06-01T03:28:05,335   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
2025-06-01T03:28:05,337   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
2025-06-01T03:28:05,339   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
2025-06-01T03:28:05,341   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
2025-06-01T03:28:05,343   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
2025-06-01T03:28:05,345   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
2025-06-01T03:28:05,346   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
2025-06-01T03:28:05,348   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
2025-06-01T03:28:05,350   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
2025-06-01T03:28:05,352   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
2025-06-01T03:28:05,353   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
2025-06-01T03:28:05,355   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
2025-06-01T03:28:05,357   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
2025-06-01T03:28:05,359   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
2025-06-01T03:28:05,361   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
2025-06-01T03:28:05,362   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
2025-06-01T03:28:05,364   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
2025-06-01T03:28:05,365   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
2025-06-01T03:28:05,367   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
2025-06-01T03:28:05,370   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
2025-06-01T03:28:05,371   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
2025-06-01T03:28:05,373   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
2025-06-01T03:28:05,375   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
2025-06-01T03:28:05,376   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
2025-06-01T03:28:05,378   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
2025-06-01T03:28:05,380   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
2025-06-01T03:28:05,382   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
2025-06-01T03:28:05,383   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
2025-06-01T03:28:05,385   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
2025-06-01T03:28:05,387   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
2025-06-01T03:28:05,389   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
2025-06-01T03:28:05,390   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
2025-06-01T03:28:05,392   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
2025-06-01T03:28:05,394   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
2025-06-01T03:28:05,396   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
2025-06-01T03:28:05,398   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
2025-06-01T03:28:05,400   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
2025-06-01T03:28:05,401   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
2025-06-01T03:28:05,403   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
2025-06-01T03:28:05,405   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
2025-06-01T03:28:05,407   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
2025-06-01T03:28:05,408   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
2025-06-01T03:28:05,410   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
2025-06-01T03:28:05,412   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
2025-06-01T03:28:05,414   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
2025-06-01T03:28:05,415   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
2025-06-01T03:28:05,417   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
2025-06-01T03:28:05,419   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
2025-06-01T03:28:05,421   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
2025-06-01T03:28:05,423   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
2025-06-01T03:28:05,425   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
2025-06-01T03:28:05,426   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
2025-06-01T03:28:05,429   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
2025-06-01T03:28:05,431   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
2025-06-01T03:28:05,432   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
2025-06-01T03:28:05,434   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
2025-06-01T03:28:05,436   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
2025-06-01T03:28:05,438   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
2025-06-01T03:28:05,440   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
2025-06-01T03:28:05,442   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
2025-06-01T03:28:05,443   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
2025-06-01T03:28:05,445   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
2025-06-01T03:28:05,447   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
2025-06-01T03:28:05,449   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
2025-06-01T03:28:05,451   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
2025-06-01T03:28:05,453   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
2025-06-01T03:28:05,455   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
2025-06-01T03:28:05,457   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
2025-06-01T03:28:05,459   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
2025-06-01T03:28:05,460   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
2025-06-01T03:28:05,462   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
2025-06-01T03:28:05,464   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
2025-06-01T03:28:05,466   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
2025-06-01T03:28:05,468   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
2025-06-01T03:28:05,470   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
2025-06-01T03:28:05,472   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
2025-06-01T03:28:05,474   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
2025-06-01T03:28:05,475   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
2025-06-01T03:28:05,477   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
2025-06-01T03:28:05,479   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
2025-06-01T03:28:05,481   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
2025-06-01T03:28:05,482   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
2025-06-01T03:28:05,484   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
2025-06-01T03:28:05,486   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
2025-06-01T03:28:05,488   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
2025-06-01T03:28:05,490   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
2025-06-01T03:28:05,491   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
2025-06-01T03:28:05,493   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
2025-06-01T03:28:05,495   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
2025-06-01T03:28:05,497   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
2025-06-01T03:28:05,500   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,549   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,559   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,581   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Melatonin52
2025-06-01T03:28:05,595   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,619   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,650   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,663   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,665   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,674   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,709   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,756   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,775   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,801   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,803   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,816   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,826   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,920   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,922   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,935   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,937   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,939   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,944   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,946   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,948   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,950   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10
2025-06-01T03:28:05,990   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW30
2025-06-01T03:28:05,991   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
2025-06-01T03:28:05,993   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
2025-06-01T03:28:05,995   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
2025-06-01T03:28:05,997   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
2025-06-01T03:28:05,999   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
2025-06-01T03:28:06,001   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
2025-06-01T03:28:06,003   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
2025-06-01T03:28:06,005   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
2025-06-01T03:28:06,007   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
2025-06-01T03:28:06,009   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
2025-06-01T03:28:06,011   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
2025-06-01T03:28:06,012   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
2025-06-01T03:28:06,014   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
2025-06-01T03:28:06,016   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
2025-06-01T03:28:06,018   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
2025-06-01T03:28:06,019   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
2025-06-01T03:28:06,021   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
2025-06-01T03:28:06,023   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
2025-06-01T03:28:06,025   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
2025-06-01T03:28:06,027   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
2025-06-01T03:28:06,028   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
2025-06-01T03:28:06,030   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
2025-06-01T03:28:06,032   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
2025-06-01T03:28:06,034   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
2025-06-01T03:28:06,036   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
2025-06-01T03:28:06,038   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
2025-06-01T03:28:06,039   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
2025-06-01T03:28:06,041   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
2025-06-01T03:28:06,043   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
2025-06-01T03:28:06,045   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
2025-06-01T03:28:06,047   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
2025-06-01T03:28:06,049   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
2025-06-01T03:28:06,051   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
2025-06-01T03:28:06,053   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
2025-06-01T03:28:06,054   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
2025-06-01T03:28:06,056   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
2025-06-01T03:28:06,058   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
2025-06-01T03:28:06,060   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
2025-06-01T03:28:06,062   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
2025-06-01T03:28:06,063   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
2025-06-01T03:28:06,065   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
2025-06-01T03:28:06,067   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
2025-06-01T03:28:06,069   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
2025-06-01T03:28:06,071   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
2025-06-01T03:28:06,073   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
2025-06-01T03:28:06,074   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
2025-06-01T03:28:06,076   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
2025-06-01T03:28:06,078   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
2025-06-01T03:28:06,080   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
2025-06-01T03:28:06,082   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
2025-06-01T03:28:06,084   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
2025-06-01T03:28:06,086   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
2025-06-01T03:28:06,087   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
2025-06-01T03:28:06,089   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
2025-06-01T03:28:06,092   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
2025-06-01T03:28:06,093   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
2025-06-01T03:28:06,095   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
2025-06-01T03:28:06,097   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
2025-06-01T03:28:06,099   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
2025-06-01T03:28:06,100   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
2025-06-01T03:28:06,102   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
2025-06-01T03:28:06,104   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
2025-06-01T03:28:06,106   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
2025-06-01T03:28:06,108   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
2025-06-01T03:28:06,110   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
2025-06-01T03:28:06,112   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
2025-06-01T03:28:06,114   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
2025-06-01T03:28:06,116   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
2025-06-01T03:28:06,117   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
2025-06-01T03:28:06,119   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
2025-06-01T03:28:06,121   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
2025-06-01T03:28:06,123   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
2025-06-01T03:28:06,125   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
2025-06-01T03:28:06,126   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
2025-06-01T03:28:06,128   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
2025-06-01T03:28:06,130   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
2025-06-01T03:28:06,132   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
2025-06-01T03:28:06,134   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
2025-06-01T03:28:06,136   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
2025-06-01T03:28:06,137   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
2025-06-01T03:28:06,139   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
2025-06-01T03:28:06,141   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
2025-06-01T03:28:06,143   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
2025-06-01T03:28:06,145   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
2025-06-01T03:28:06,147   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
2025-06-01T03:28:06,149   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
2025-06-01T03:28:06,150   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
2025-06-01T03:28:06,152   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
2025-06-01T03:28:06,154   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
2025-06-01T03:28:06,156   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
2025-06-01T03:28:06,158   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11
2025-06-01T03:28:06,191   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,207   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,209   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,226   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CR20
2025-06-01T03:28:06,308   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,318   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6
2025-06-01T03:28:06,336   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,337   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,373   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,379   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,381   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,396   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,398   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,412   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,508   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,512   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,532   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,547   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,579   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,621   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,623   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,625   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,634   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,676   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,718   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,724   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,727   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,729   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,735   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,737   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,747   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,749   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,751   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,753   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,792   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,794   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,796   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,807   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,924   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,965   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,967   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,969   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,974   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,976   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,987   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:06,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,012   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,061   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,068   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,188   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,198   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,200   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,218   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,243   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,245   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,247   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,260   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,262   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,283   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,292   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,294   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,333   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,402   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,404   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,435   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,437   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,449   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,451   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,453   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,455   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,457   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,467   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,469   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,479   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,481   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,483   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,485   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,489   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,491   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,493   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,503   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,505   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,534   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,536   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,538   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,552   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,564   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,568   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,591   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S66x8
2025-06-01T03:28:07,617   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,630   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,632   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,652   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,672   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/SW49Bind345
2025-06-01T03:28:07,681   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,684   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
2025-06-01T03:28:07,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,692   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
2025-06-01T03:28:07,694   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
2025-06-01T03:28:07,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,705   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
2025-06-01T03:28:07,707   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,709   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
2025-06-01T03:28:07,711   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,716   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
2025-06-01T03:28:07,718   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
2025-06-01T03:28:07,720   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,722   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,724   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
2025-06-01T03:28:07,726   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
2025-06-01T03:28:07,727   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
2025-06-01T03:28:07,729   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
2025-06-01T03:28:07,731   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,733   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,735   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
2025-06-01T03:28:07,737   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
2025-06-01T03:28:07,739   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
2025-06-01T03:28:07,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,748   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
2025-06-01T03:28:07,750   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
2025-06-01T03:28:07,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,765   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
2025-06-01T03:28:07,767   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
2025-06-01T03:28:07,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,770   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
2025-06-01T03:28:07,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,782   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
2025-06-01T03:28:07,784   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
2025-06-01T03:28:07,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,787   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
2025-06-01T03:28:07,790   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
2025-06-01T03:28:07,791   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
2025-06-01T03:28:07,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,799   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
2025-06-01T03:28:07,801   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
2025-06-01T03:28:07,803   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
2025-06-01T03:28:07,805   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,806   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
2025-06-01T03:28:07,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,812   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
2025-06-01T03:28:07,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,816   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
2025-06-01T03:28:07,818   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
2025-06-01T03:28:07,820   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
2025-06-01T03:28:07,822   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
2025-06-01T03:28:07,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,826   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
2025-06-01T03:28:07,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,835   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
2025-06-01T03:28:07,837   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,839   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,843   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
2025-06-01T03:28:07,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Bauza30
2025-06-01T03:28:07,853   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,856   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,858   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,871   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,873   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,875   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/AE18
2025-06-01T03:28:07,889   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,898   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,900   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,902   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,904   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,928   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,930   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,932   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,953   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,955   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/WCPT27
2025-06-01T03:28:07,974   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,982   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,984   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,995   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:07,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,017   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,032   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,041   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,043   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,054   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,073   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,084   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,093   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,095   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,097   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,100   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,102   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/G21IP
2025-06-01T03:28:08,110   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,134   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,136   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,138   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,175   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,211   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,228   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,251   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,253   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,255   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,288   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,290   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,307   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,309   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,311   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,313   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,319   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,328   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,339   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DIE60
2025-06-01T03:28:08,342   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,351   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,353   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/20C24
2025-06-01T03:28:08,367   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM
2025-06-01T03:28:08,368   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
2025-06-01T03:28:08,371   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
2025-06-01T03:28:08,373   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
2025-06-01T03:28:08,374   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
2025-06-01T03:28:08,376   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
2025-06-01T03:28:08,378   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
2025-06-01T03:28:08,380   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
2025-06-01T03:28:08,382   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
2025-06-01T03:28:08,384   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
2025-06-01T03:28:08,386   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
2025-06-01T03:28:08,388   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
2025-06-01T03:28:08,390   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
2025-06-01T03:28:08,392   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
2025-06-01T03:28:08,394   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
2025-06-01T03:28:08,395   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
2025-06-01T03:28:08,397   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
2025-06-01T03:28:08,399   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
2025-06-01T03:28:08,401   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
2025-06-01T03:28:08,403   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
2025-06-01T03:28:08,405   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
2025-06-01T03:28:08,407   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
2025-06-01T03:28:08,409   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
2025-06-01T03:28:08,411   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
2025-06-01T03:28:08,413   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
2025-06-01T03:28:08,415   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
2025-06-01T03:28:08,416   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
2025-06-01T03:28:08,418   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
2025-06-01T03:28:08,420   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
2025-06-01T03:28:08,422   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
2025-06-01T03:28:08,424   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
2025-06-01T03:28:08,426   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
2025-06-01T03:28:08,427   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
2025-06-01T03:28:08,429   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
2025-06-01T03:28:08,431   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
2025-06-01T03:28:08,433   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
2025-06-01T03:28:08,435   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
2025-06-01T03:28:08,436   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
2025-06-01T03:28:08,438   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
2025-06-01T03:28:08,440   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
2025-06-01T03:28:08,442   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
2025-06-01T03:28:08,444   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
2025-06-01T03:28:08,446   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
2025-06-01T03:28:08,447   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
2025-06-01T03:28:08,449   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
2025-06-01T03:28:08,451   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
2025-06-01T03:28:08,453   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
2025-06-01T03:28:08,455   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
2025-06-01T03:28:08,457   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
2025-06-01T03:28:08,459   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
2025-06-01T03:28:08,461   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
2025-06-01T03:28:08,462   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
2025-06-01T03:28:08,464   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
2025-06-01T03:28:08,466   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
2025-06-01T03:28:08,468   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
2025-06-01T03:28:08,470   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
2025-06-01T03:28:08,471   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
2025-06-01T03:28:08,473   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
2025-06-01T03:28:08,475   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
2025-06-01T03:28:08,477   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
2025-06-01T03:28:08,479   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
2025-06-01T03:28:08,481   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
2025-06-01T03:28:08,483   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
2025-06-01T03:28:08,485   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
2025-06-01T03:28:08,486   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
2025-06-01T03:28:08,488   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
2025-06-01T03:28:08,490   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
2025-06-01T03:28:08,492   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
2025-06-01T03:28:08,494   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
2025-06-01T03:28:08,496   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
2025-06-01T03:28:08,498   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
2025-06-01T03:28:08,499   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
2025-06-01T03:28:08,501   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
2025-06-01T03:28:08,503   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
2025-06-01T03:28:08,505   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
2025-06-01T03:28:08,507   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
2025-06-01T03:28:08,509   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
2025-06-01T03:28:08,510   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
2025-06-01T03:28:08,512   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
2025-06-01T03:28:08,514   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
2025-06-01T03:28:08,516   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
2025-06-01T03:28:08,518   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
2025-06-01T03:28:08,520   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
2025-06-01T03:28:08,522   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
2025-06-01T03:28:08,523   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
2025-06-01T03:28:08,525   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
2025-06-01T03:28:08,527   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
2025-06-01T03:28:08,529   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
2025-06-01T03:28:08,530   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
2025-06-01T03:28:08,532   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
2025-06-01T03:28:08,534   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
2025-06-01T03:28:08,536   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
2025-06-01T03:28:08,537   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
2025-06-01T03:28:08,539   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
2025-06-01T03:28:08,541   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
2025-06-01T03:28:08,542   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
2025-06-01T03:28:08,544   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
2025-06-01T03:28:08,546   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
2025-06-01T03:28:08,548   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
2025-06-01T03:28:08,549   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
2025-06-01T03:28:08,551   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
2025-06-01T03:28:08,553   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
2025-06-01T03:28:08,555   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
2025-06-01T03:28:08,556   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
2025-06-01T03:28:08,558   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
2025-06-01T03:28:08,560   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
2025-06-01T03:28:08,562   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
2025-06-01T03:28:08,564   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
2025-06-01T03:28:08,566   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
2025-06-01T03:28:08,568   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
2025-06-01T03:28:08,570   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
2025-06-01T03:28:08,572   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
2025-06-01T03:28:08,573   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
2025-06-01T03:28:08,575   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
2025-06-01T03:28:08,577   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
2025-06-01T03:28:08,578   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
2025-06-01T03:28:08,580   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
2025-06-01T03:28:08,582   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
2025-06-01T03:28:08,584   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
2025-06-01T03:28:08,585   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
2025-06-01T03:28:08,587   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
2025-06-01T03:28:08,589   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
2025-06-01T03:28:08,591   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
2025-06-01T03:28:08,593   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
2025-06-01T03:28:08,594   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
2025-06-01T03:28:08,596   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
2025-06-01T03:28:08,598   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
2025-06-01T03:28:08,599   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
2025-06-01T03:28:08,601   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
2025-06-01T03:28:08,603   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
2025-06-01T03:28:08,605   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
2025-06-01T03:28:08,607   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
2025-06-01T03:28:08,608   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
2025-06-01T03:28:08,610   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
2025-06-01T03:28:08,612   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
2025-06-01T03:28:08,614   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
2025-06-01T03:28:08,615   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
2025-06-01T03:28:08,617   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
2025-06-01T03:28:08,619   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
2025-06-01T03:28:08,621   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
2025-06-01T03:28:08,622   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
2025-06-01T03:28:08,624   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
2025-06-01T03:28:08,626   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
2025-06-01T03:28:08,628   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
2025-06-01T03:28:08,630   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
2025-06-01T03:28:08,631   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
2025-06-01T03:28:08,633   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
2025-06-01T03:28:08,635   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
2025-06-01T03:28:08,637   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
2025-06-01T03:28:08,638   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
2025-06-01T03:28:08,640   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
2025-06-01T03:28:08,642   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
2025-06-01T03:28:08,644   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
2025-06-01T03:28:08,646   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
2025-06-01T03:28:08,648   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
2025-06-01T03:28:08,650   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
2025-06-01T03:28:08,651   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
2025-06-01T03:28:08,653   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
2025-06-01T03:28:08,655   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
2025-06-01T03:28:08,657   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
2025-06-01T03:28:08,658   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
2025-06-01T03:28:08,660   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
2025-06-01T03:28:08,662   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
2025-06-01T03:28:08,664   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
2025-06-01T03:28:08,665   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
2025-06-01T03:28:08,667   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
2025-06-01T03:28:08,669   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
2025-06-01T03:28:08,671   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
2025-06-01T03:28:08,673   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
2025-06-01T03:28:08,675   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
2025-06-01T03:28:08,677   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
2025-06-01T03:28:08,678   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
2025-06-01T03:28:08,680   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
2025-06-01T03:28:08,683   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
2025-06-01T03:28:08,685   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
2025-06-01T03:28:08,686   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
2025-06-01T03:28:08,688   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
2025-06-01T03:28:08,690   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
2025-06-01T03:28:08,692   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
2025-06-01T03:28:08,694   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
2025-06-01T03:28:08,696   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
2025-06-01T03:28:08,698   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
2025-06-01T03:28:08,700   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
2025-06-01T03:28:08,701   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
2025-06-01T03:28:08,703   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
2025-06-01T03:28:08,705   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
2025-06-01T03:28:08,707   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
2025-06-01T03:28:08,709   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
2025-06-01T03:28:08,710   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
2025-06-01T03:28:08,712   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
2025-06-01T03:28:08,714   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
2025-06-01T03:28:08,716   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
2025-06-01T03:28:08,718   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
2025-06-01T03:28:08,720   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
2025-06-01T03:28:08,722   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
2025-06-01T03:28:08,723   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
2025-06-01T03:28:08,725   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
2025-06-01T03:28:08,727   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
2025-06-01T03:28:08,729   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
2025-06-01T03:28:08,730   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
2025-06-01T03:28:08,732   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
2025-06-01T03:28:08,734   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
2025-06-01T03:28:08,736   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
2025-06-01T03:28:08,737   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
2025-06-01T03:28:08,739   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
2025-06-01T03:28:08,741   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
2025-06-01T03:28:08,743   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
2025-06-01T03:28:08,745   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
2025-06-01T03:28:08,746   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
2025-06-01T03:28:08,748   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
2025-06-01T03:28:08,750   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
2025-06-01T03:28:08,752   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
2025-06-01T03:28:08,754   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
2025-06-01T03:28:08,755   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
2025-06-01T03:28:08,757   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
2025-06-01T03:28:08,759   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
2025-06-01T03:28:08,761   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
2025-06-01T03:28:08,763   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
2025-06-01T03:28:08,764   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
2025-06-01T03:28:08,766   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
2025-06-01T03:28:08,768   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
2025-06-01T03:28:08,770   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
2025-06-01T03:28:08,772   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
2025-06-01T03:28:08,774   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
2025-06-01T03:28:08,776   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
2025-06-01T03:28:08,777   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
2025-06-01T03:28:08,779   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
2025-06-01T03:28:08,781   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
2025-06-01T03:28:08,783   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
2025-06-01T03:28:08,785   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
2025-06-01T03:28:08,787   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
2025-06-01T03:28:08,789   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
2025-06-01T03:28:08,791   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
2025-06-01T03:28:08,793   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
2025-06-01T03:28:08,795   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
2025-06-01T03:28:08,796   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
2025-06-01T03:28:08,798   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
2025-06-01T03:28:08,800   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
2025-06-01T03:28:08,802   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
2025-06-01T03:28:08,804   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
2025-06-01T03:28:08,806   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
2025-06-01T03:28:08,808   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
2025-06-01T03:28:08,809   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
2025-06-01T03:28:08,811   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
2025-06-01T03:28:08,813   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
2025-06-01T03:28:08,815   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
2025-06-01T03:28:08,817   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
2025-06-01T03:28:08,818   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
2025-06-01T03:28:08,820   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
2025-06-01T03:28:08,822   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
2025-06-01T03:28:08,824   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
2025-06-01T03:28:08,826   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
2025-06-01T03:28:08,828   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
2025-06-01T03:28:08,830   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
2025-06-01T03:28:08,832   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
2025-06-01T03:28:08,834   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
2025-06-01T03:28:08,836   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
2025-06-01T03:28:08,838   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
2025-06-01T03:28:08,840   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
2025-06-01T03:28:08,842   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
2025-06-01T03:28:08,844   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
2025-06-01T03:28:08,846   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
2025-06-01T03:28:08,848   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
2025-06-01T03:28:08,850   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
2025-06-01T03:28:08,852   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
2025-06-01T03:28:08,854   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
2025-06-01T03:28:08,855   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
2025-06-01T03:28:08,857   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
2025-06-01T03:28:08,859   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
2025-06-01T03:28:08,861   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
2025-06-01T03:28:08,863   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
2025-06-01T03:28:08,865   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
2025-06-01T03:28:08,867   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
2025-06-01T03:28:08,869   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
2025-06-01T03:28:08,871   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
2025-06-01T03:28:08,873   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
2025-06-01T03:28:08,875   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
2025-06-01T03:28:08,877   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
2025-06-01T03:28:08,879   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
2025-06-01T03:28:08,881   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
2025-06-01T03:28:08,883   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
2025-06-01T03:28:08,885   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
2025-06-01T03:28:08,887   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
2025-06-01T03:28:08,888   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
2025-06-01T03:28:08,890   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
2025-06-01T03:28:08,892   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
2025-06-01T03:28:08,894   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
2025-06-01T03:28:08,896   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
2025-06-01T03:28:08,898   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
2025-06-01T03:28:08,900   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
2025-06-01T03:28:08,902   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
2025-06-01T03:28:08,904   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
2025-06-01T03:28:08,906   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
2025-06-01T03:28:08,908   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
2025-06-01T03:28:08,910   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
2025-06-01T03:28:08,912   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
2025-06-01T03:28:08,914   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
2025-06-01T03:28:08,916   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
2025-06-01T03:28:08,918   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
2025-06-01T03:28:08,920   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
2025-06-01T03:28:08,922   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
2025-06-01T03:28:08,924   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
2025-06-01T03:28:08,926   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
2025-06-01T03:28:08,928   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
2025-06-01T03:28:08,930   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
2025-06-01T03:28:08,932   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
2025-06-01T03:28:08,934   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
2025-06-01T03:28:08,935   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
2025-06-01T03:28:08,937   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
2025-06-01T03:28:08,939   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
2025-06-01T03:28:08,941   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
2025-06-01T03:28:08,943   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
2025-06-01T03:28:08,945   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
2025-06-01T03:28:08,947   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
2025-06-01T03:28:08,949   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
2025-06-01T03:28:08,951   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
2025-06-01T03:28:08,953   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
2025-06-01T03:28:08,954   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
2025-06-01T03:28:08,956   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
2025-06-01T03:28:08,958   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
2025-06-01T03:28:08,961   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
2025-06-01T03:28:08,963   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
2025-06-01T03:28:08,964   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
2025-06-01T03:28:08,966   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
2025-06-01T03:28:08,968   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
2025-06-01T03:28:08,971   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
2025-06-01T03:28:08,973   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
2025-06-01T03:28:08,975   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
2025-06-01T03:28:08,977   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
2025-06-01T03:28:08,979   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
2025-06-01T03:28:08,981   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
2025-06-01T03:28:08,982   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
2025-06-01T03:28:08,984   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
2025-06-01T03:28:08,986   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
2025-06-01T03:28:08,988   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
2025-06-01T03:28:08,990   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
2025-06-01T03:28:08,992   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
2025-06-01T03:28:08,994   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
2025-06-01T03:28:08,996   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
2025-06-01T03:28:08,998   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
2025-06-01T03:28:09,000   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
2025-06-01T03:28:09,002   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
2025-06-01T03:28:09,004   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
2025-06-01T03:28:09,006   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
2025-06-01T03:28:09,008   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
2025-06-01T03:28:09,010   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
2025-06-01T03:28:09,012   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
2025-06-01T03:28:09,013   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
2025-06-01T03:28:09,015   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
2025-06-01T03:28:09,017   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
2025-06-01T03:28:09,019   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
2025-06-01T03:28:09,021   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
2025-06-01T03:28:09,023   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
2025-06-01T03:28:09,025   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
2025-06-01T03:28:09,026   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
2025-06-01T03:28:09,028   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
2025-06-01T03:28:09,030   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
2025-06-01T03:28:09,032   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
2025-06-01T03:28:09,034   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
2025-06-01T03:28:09,036   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
2025-06-01T03:28:09,038   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
2025-06-01T03:28:09,040   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
2025-06-01T03:28:09,042   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
2025-06-01T03:28:09,044   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
2025-06-01T03:28:09,045   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
2025-06-01T03:28:09,047   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
2025-06-01T03:28:09,049   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
2025-06-01T03:28:09,051   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
2025-06-01T03:28:09,053   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
2025-06-01T03:28:09,054   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
2025-06-01T03:28:09,056   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
2025-06-01T03:28:09,058   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
2025-06-01T03:28:09,060   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
2025-06-01T03:28:09,062   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
2025-06-01T03:28:09,064   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
2025-06-01T03:28:09,066   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
2025-06-01T03:28:09,067   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
2025-06-01T03:28:09,070   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
2025-06-01T03:28:09,071   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
2025-06-01T03:28:09,073   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
2025-06-01T03:28:09,075   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
2025-06-01T03:28:09,077   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
2025-06-01T03:28:09,079   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
2025-06-01T03:28:09,081   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
2025-06-01T03:28:09,083   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
2025-06-01T03:28:09,085   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
2025-06-01T03:28:09,086   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
2025-06-01T03:28:09,088   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
2025-06-01T03:28:09,090   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
2025-06-01T03:28:09,092   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
2025-06-01T03:28:09,094   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
2025-06-01T03:28:09,096   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
2025-06-01T03:28:09,098   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
2025-06-01T03:28:09,100   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
2025-06-01T03:28:09,102   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
2025-06-01T03:28:09,103   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
2025-06-01T03:28:09,105   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
2025-06-01T03:28:09,107   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
2025-06-01T03:28:09,109   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
2025-06-01T03:28:09,111   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
2025-06-01T03:28:09,113   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
2025-06-01T03:28:09,115   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
2025-06-01T03:28:09,117   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
2025-06-01T03:28:09,119   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
2025-06-01T03:28:09,121   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
2025-06-01T03:28:09,123   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
2025-06-01T03:28:09,124   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
2025-06-01T03:28:09,126   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
2025-06-01T03:28:09,128   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
2025-06-01T03:28:09,130   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
2025-06-01T03:28:09,132   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
2025-06-01T03:28:09,134   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
2025-06-01T03:28:09,136   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
2025-06-01T03:28:09,138   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
2025-06-01T03:28:09,140   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
2025-06-01T03:28:09,143   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,145   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,147   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,149   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,161   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,163   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,168   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,170   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,177   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,185   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,191   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,203   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,205   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,214   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,216   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,221   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,223   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/EIE22
2025-06-01T03:28:09,229   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,231   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,236   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,238   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,258   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,265   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,267   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,269   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,271   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,274   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,276   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,278   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,280   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,285   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HW6Cl
2025-06-01T03:28:09,294   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,297   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,299   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,302   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,304   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/CYCONF
2025-06-01T03:28:09,316   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,322   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,324   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,326   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4
2025-06-01T03:28:09,329   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,330   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,342   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,344   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,346   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,348   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,355   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,357   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,359   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,361   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,363   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,366   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,368   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,370   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,372   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,374   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,376   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,384   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,386   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,388   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,391   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,393   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,406   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,411   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,413   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,415   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,417   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,419   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,421   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BH76RC
2025-06-01T03:28:09,424   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,428   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,430   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,432   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,438   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,440   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,442   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,444   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,446   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,448   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,458   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,460   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,462   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,464   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,472   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,474   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,476   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,488   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,490   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,496   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,498   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,500   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DBH24
2025-06-01T03:28:09,509   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,510   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,515   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,517   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,519   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,521   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,523   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,525   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,527   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,529   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,541   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,543   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,545   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,548   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,550   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,552   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
2025-06-01T03:28:09,554   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,556   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,560   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,563   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,567   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,571   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,573   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,575   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,577   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,584   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,586   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,588   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,592   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,597   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,599   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,601   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,603   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,605   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,607   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,609   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BHPERI26
2025-06-01T03:28:09,613   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,615   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,617   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,627   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,637   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,639   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,641   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,643   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,645   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,647   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,654   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,656   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,658   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,666   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,668   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,670   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,677   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,679   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,681   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,683   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,685   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,687   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,689   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,696   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,698   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,700   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,702   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,704   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,706   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,713   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,715   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,717   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,725   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,738   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,740   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,742   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,744   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,746   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,748   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,750   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,752   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,755   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,759   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,761   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,763   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,765   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,767   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,769   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,771   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,778   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,780   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,782   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,785   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,787   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,789   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,798   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/HAT707
2025-06-01T03:28:09,809   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,810   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,812   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,814   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,819   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,821   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,823   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,828   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,830   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,832   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,834   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,841   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,843   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,845   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,847   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,849   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,851   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,853   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,860   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,862   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,865   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,867   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,869   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,878   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,880   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,882   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,884   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,887   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,889   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,891   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,893   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,895   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,907   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,909   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,911   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,913   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,915   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,917   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,941   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,957   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,959   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,961   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,963   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,971   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,978   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,980   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,989   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,991   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,993   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,998   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:09,999   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,004   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,006   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,008   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,010   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,021   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,024   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,026   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,028   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,030   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,035   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,037   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,039   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,046   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,050   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,057   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,059   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,064   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,066   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,079   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,081   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,086   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,088   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,090   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/TAE140
2025-06-01T03:28:10,095   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,104   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,106   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,109   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,111   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,113   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,118   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,120   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/PX13
2025-06-01T03:28:10,125   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,131   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,141   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,151   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,158   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,165   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,172   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,179   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,181   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,183   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,184   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,186   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,187   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,189   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,190   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,192   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,194   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,196   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,197   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,201   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,204   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,206   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,208   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,210   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,212   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,213   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,215   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,217   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,219   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,220   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,222   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,224   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,225   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,227   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,229   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,230   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,232   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,234   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,235   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,237   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,239   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,241   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,244   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,246   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,248   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/A24
2025-06-01T03:28:10,253   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,256   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,259   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,261   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,263   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,264   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,266   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,268   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,270   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,272   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,273   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,275   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,277   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,279   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,281   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,282   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,284   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,286   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,287   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,289   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,291   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,293   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,295   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,296   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,298   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,300   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,301   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,303   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,305   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,306   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,308   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,310   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,312   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,314   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,315   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,317   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,320   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,321   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,323   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,325   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,327   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,329   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,331   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,332   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,334   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,336   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,338   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,340   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,341   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,343   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,345   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,347   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,349   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,350   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,352   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,354   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,356   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,358   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,360   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,362   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,364   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,365   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,367   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,369   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,371   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/S22
2025-06-01T03:28:10,374   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,375   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,377   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,378   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,380   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,382   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,383   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,385   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,387   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,389   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,390   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,392   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,394   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,395   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,397   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,399   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,401   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,403   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,405   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,407   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,408   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,410   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/NBPRC
2025-06-01T03:28:10,413   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,414   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,416   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,418   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,420   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,422   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,423   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,425   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,427   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,429   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,431   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,433   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,434   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,436   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,439   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,441   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,443   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,445   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,447   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,450   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,452   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,454   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,456   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,459   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,461   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,463   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,465   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,466   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,468   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,470   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,471   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,473   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,475   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,477   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,478   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,480   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,482   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,484   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,486   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,487   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/Sheilds38
2025-06-01T03:28:10,490   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,492   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,494   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,495   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,497   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,499   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,501   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,502   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,504   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,506   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,507   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,509   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,511   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,513   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,514   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,516   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,518   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,520   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,522   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,524   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,526   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,528   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,530   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,531   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,533   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,535   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,537   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,539   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,540   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,542   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,544   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,546   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20
2025-06-01T03:28:10,550   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,551   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,553   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,555   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,557   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,558   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,561   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,562   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,565   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,566   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,569   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,570   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,572   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,574   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,576   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,578   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,580   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,582   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,583   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,585   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,587   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,589   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,590   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,593   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,595   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,596   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,598   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,600   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,602   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,604   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,606   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,608   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,610   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,612   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,614   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,616   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,618   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,620   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,622   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,624   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,626   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,628   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,629   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,631   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,633   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,635   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,636   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,638   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,640   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,642   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,644   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,646   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,648   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,649   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,651   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,653   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,655   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,657   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,660   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,662   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,664   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,667   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,669   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,671   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,673   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,675   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,678   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,680   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,682   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,684   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,686   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,688   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,690   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,692   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,694   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,697   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,699   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,701   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,703   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,705   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,708   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,710   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,712   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,714   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,716   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,719   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,721   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,723   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,726   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,728   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,730   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,732   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,734   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,736   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,739   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,741   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,743   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,745   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BDE99
2025-06-01T03:28:10,753   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,754   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,757   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,758   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,760   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,762   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,764   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,766   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,768   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,770   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,772   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,774   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,776   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,777   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,779   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,781   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,783   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,784   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,786   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,788   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,790   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,791   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,793   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,795   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,797   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,799   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,800   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,802   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,804   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,806   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,808   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,809   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,811   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,813   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,815   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,817   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,818   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,820   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,822   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,824   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,825   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,827   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,829   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,831   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,833   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,835   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,836   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,838   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,840   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,842   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,844   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,846   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,848   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,850   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,852   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,854   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,855   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,857   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,859   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,861   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,863   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,864   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,866   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,868   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,870   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,872   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,874   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,876   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,877   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,879   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,881   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,883   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,885   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,886   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,888   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,890   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,892   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,894   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,896   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,897   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,899   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,901   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,903   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,905   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,906   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,908   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,910   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,912   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,914   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,916   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,918   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,919   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,921   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,923   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,925   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,927   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,929   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,931   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,933   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,934   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,936   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,938   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,940   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,942   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,943   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,945   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,947   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,949   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,951   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,952   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,954   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,956   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,958   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,960   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,962   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,964   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,966   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,968   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,970   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,972   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,973   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,975   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,977   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,979   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,981   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,983   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,985   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,986   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,988   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,990   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,992   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,994   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,996   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:10,997   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,000   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,001   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,003   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,005   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,007   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,009   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,011   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,013   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,015   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,016   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,018   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,020   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,022   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,023   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,025   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,027   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,029   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,031   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,033   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,034   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,036   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,038   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,040   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,042   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,044   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,045   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,047   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,049   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,051   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,053   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,055   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,056   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,058   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,060   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,062   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,063   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,065   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,067   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,069   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,071   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,072   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,074   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,076   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,078   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,080   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,082   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,083   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,085   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,087   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,089   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,091   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,092   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,094   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,096   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,098   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,099   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,101   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,103   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,105   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,107   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,108   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,110   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,112   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,114   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,115   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,117   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,119   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,121   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,122   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,124   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,126   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,128   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,130   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,132   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,133   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,135   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,137   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,139   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,140   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,142   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,144   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,146   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,148   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,150   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,152   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,153   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,155   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,157   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,159   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,160   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,162   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,164   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,166   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,167   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,169   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,171   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,173   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,174   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,176   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,178   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,180   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,182   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/BzDC215
2025-06-01T03:28:11,185   creating build/bdist.linux-armv7l/wheel/xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,186   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
2025-06-01T03:28:11,188   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
2025-06-01T03:28:11,189   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
2025-06-01T03:28:11,191   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
2025-06-01T03:28:11,193   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,195   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,197   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
2025-06-01T03:28:11,199   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,200   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
2025-06-01T03:28:11,202   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,204   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
2025-06-01T03:28:11,206   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
2025-06-01T03:28:11,208   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
2025-06-01T03:28:11,209   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
2025-06-01T03:28:11,211   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
2025-06-01T03:28:11,213   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
2025-06-01T03:28:11,215   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
2025-06-01T03:28:11,216   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
2025-06-01T03:28:11,218   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
2025-06-01T03:28:11,220   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
2025-06-01T03:28:11,222   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
2025-06-01T03:28:11,224   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
2025-06-01T03:28:11,226   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
2025-06-01T03:28:11,227   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
2025-06-01T03:28:11,229   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
2025-06-01T03:28:11,231   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
2025-06-01T03:28:11,233   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,234   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
2025-06-01T03:28:11,236   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
2025-06-01T03:28:11,238   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
2025-06-01T03:28:11,240   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,242   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,243   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
2025-06-01T03:28:11,245   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
2025-06-01T03:28:11,247   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
2025-06-01T03:28:11,249   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,250   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,252   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,254   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,256   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
2025-06-01T03:28:11,257   copying build/lib/xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz -> build/bdist.linux-armv7l/wheel/./xcbm/MGCDB84_Dataset/Geometries/DS14
2025-06-01T03:28:11,259   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
2025-06-01T03:28:11,264   creating build/bdist.linux-armv7l/wheel/xcbm/Input_Scripts
2025-06-01T03:28:11,265   copying build/lib/xcbm/Input_Scripts/calc.py -> build/bdist.linux-armv7l/wheel/./xcbm/Input_Scripts
2025-06-01T03:28:11,267   copying build/lib/xcbm/MGCDB84.py -> build/bdist.linux-armv7l/wheel/./xcbm
2025-06-01T03:28:11,271   running install_egg_info
2025-06-01T03:28:11,280   Copying xcbm.egg-info to build/bdist.linux-armv7l/wheel/./xcbm-0.1.3-py3.11.egg-info
2025-06-01T03:28:11,295   running install_scripts
2025-06-01T03:28:11,306   creating build/bdist.linux-armv7l/wheel/xcbm-0.1.3.dist-info/WHEEL
2025-06-01T03:28:11,309   creating '/tmp/pip-wheel-lrmogf9g/.tmp-eejlvf2n/xcbm-0.1.3-py3-none-any.whl' and adding 'build/bdist.linux-armv7l/wheel' to it
2025-06-01T03:28:11,311   adding 'xcbm/MGCDB84.py'
2025-06-01T03:28:11,313   adding 'xcbm/Input_Scripts/calc.py'
2025-06-01T03:28:11,364   adding 'xcbm/MGCDB84_Dataset/DatasetEval.csv'
2025-06-01T03:28:11,371   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/11_C20BowlC5v_C20C24.xyz'
2025-06-01T03:28:11,372   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/14_C20CageD2h_C20C24.xyz'
2025-06-01T03:28:11,374   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/15_C20CageD3h_C20C24.xyz'
2025-06-01T03:28:11,375   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/16_C20RingC10h_C20C24.xyz'
2025-06-01T03:28:11,376   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/17_C24CageOh_C20C24.xyz'
2025-06-01T03:28:11,377   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/18_C24CageD3d_C20C24.xyz'
2025-06-01T03:28:11,378   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/19_C24CoronaD6h_C20C24.xyz'
2025-06-01T03:28:11,380   adding 'xcbm/MGCDB84_Dataset/Geometries/20C24/20_C24RingC12h_C20C24.xyz'
2025-06-01T03:28:11,389   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAB_3B-69.xyz'
2025-06-01T03:28:11,390   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimAC_3B-69.xyz'
2025-06-01T03:28:11,391   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_dimBC_3B-69.xyz'
2025-06-01T03:28:11,392   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monA_3B-69.xyz'
2025-06-01T03:28:11,393   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monB_3B-69.xyz'
2025-06-01T03:28:11,394   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01a_water_monC_3B-69.xyz'
2025-06-01T03:28:11,396   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAB_3B-69.xyz'
2025-06-01T03:28:11,397   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimAC_3B-69.xyz'
2025-06-01T03:28:11,398   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_dimBC_3B-69.xyz'
2025-06-01T03:28:11,399   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monA_3B-69.xyz'
2025-06-01T03:28:11,400   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monB_3B-69.xyz'
2025-06-01T03:28:11,401   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01b_water_monC_3B-69.xyz'
2025-06-01T03:28:11,402   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAB_3B-69.xyz'
2025-06-01T03:28:11,403   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimAC_3B-69.xyz'
2025-06-01T03:28:11,404   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_dimBC_3B-69.xyz'
2025-06-01T03:28:11,405   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monA_3B-69.xyz'
2025-06-01T03:28:11,406   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monB_3B-69.xyz'
2025-06-01T03:28:11,407   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/01c_water_monC_3B-69.xyz'
2025-06-01T03:28:11,408   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:11,409   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:11,410   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:11,412   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,413   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,414   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02a_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,417   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:11,418   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:11,419   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:11,420   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,421   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,422   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02b_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,424   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:11,425   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:11,426   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:11,427   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,428   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,429   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/02c_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,431   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:11,432   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:11,433   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:11,434   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,435   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,436   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,437   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:11,439   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:11,440   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:11,441   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,442   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,443   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,444   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:11,445   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:11,446   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:11,447   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,448   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,449   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,451   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:11,452   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:11,453   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:11,454   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,455   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,456   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04a_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,457   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:11,458   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:11,460   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:11,461   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,462   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,463   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04b_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,464   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:11,465   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:11,467   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:11,468   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,469   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,470   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/04c_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,471   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:11,473   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:11,474   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:11,475   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,476   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,477   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05a_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,478   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:11,480   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:11,481   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:11,482   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,483   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,484   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05b_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,485   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:11,486   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:11,487   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:11,488   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,489   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,490   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/05c_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,492   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,493   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,494   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,495   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,496   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,497   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06a_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,498   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,499   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,501   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,502   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,503   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,504   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06b_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,505   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,506   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,507   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,508   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,509   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,511   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/06c_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,512   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,513   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,514   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,515   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,516   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,517   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,519   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,520   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,521   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,522   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,523   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,524   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,525   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,527   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,528   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,529   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,530   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,531   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,532   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:11,533   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:11,535   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:11,536   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,537   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,538   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,539   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:11,541   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:11,542   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:11,543   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,544   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,545   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,546   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:11,547   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:11,549   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:11,550   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,551   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,552   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,553   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,555   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,556   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,557   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,558   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,559   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09a_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,561   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,562   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,563   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,564   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,565   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,566   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09b_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,568   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,569   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,570   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,571   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,572   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,573   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/09c_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,574   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,576   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,577   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,578   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:11,579   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:11,581   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10a_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:11,582   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,583   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,584   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,586   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:11,587   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:11,588   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10b_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:11,590   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,592   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,594   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,595   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:11,596   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:11,597   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/10c_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:11,598   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,600   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,601   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,602   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:11,603   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:11,604   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11a_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:11,606   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,607   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,608   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,609   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:11,611   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:11,612   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11b_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:11,613   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,614   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,616   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,617   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:11,618   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:11,619   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/11c_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:11,620   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,621   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,623   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,624   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:11,625   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:11,626   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12a_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:11,627   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,628   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,629   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,631   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:11,632   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:11,633   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12b_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:11,634   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:11,635   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:11,636   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:11,638   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:11,639   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:11,640   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/12c_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:11,641   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,642   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,644   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,645   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monA_3B-69.xyz'
2025-06-01T03:28:11,646   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monB_3B-69.xyz'
2025-06-01T03:28:11,647   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13a_triazine_monC_3B-69.xyz'
2025-06-01T03:28:11,648   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,649   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,651   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,652   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monA_3B-69.xyz'
2025-06-01T03:28:11,653   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monB_3B-69.xyz'
2025-06-01T03:28:11,654   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13b_triazine_monC_3B-69.xyz'
2025-06-01T03:28:11,655   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,657   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,658   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,659   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monA_3B-69.xyz'
2025-06-01T03:28:11,660   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monB_3B-69.xyz'
2025-06-01T03:28:11,661   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/13c_triazine_monC_3B-69.xyz'
2025-06-01T03:28:11,663   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,664   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,665   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,666   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,667   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,668   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,669   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,671   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,672   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,674   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,675   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,676   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,677   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:11,678   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:11,680   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:11,681   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,682   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:11,683   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:11,685   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,686   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,687   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,688   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:11,689   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:11,691   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:11,692   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,693   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,694   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,695   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:11,697   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:11,698   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:11,699   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:11,700   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:11,701   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:11,702   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:11,703   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:11,705   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:11,706   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:11,707   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:11,708   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:11,709   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:11,710   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:11,711   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:11,712   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:11,713   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:11,714   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:11,715   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:11,716   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:11,717   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:11,718   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:11,720   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:11,721   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:11,722   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:11,723   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:11,724   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:11,726   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,727   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,729   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,730   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:11,731   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:11,732   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:11,733   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,735   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,736   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,737   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:11,738   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:11,739   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:11,741   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,742   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,743   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,744   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:11,746   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:11,747   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:11,748   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:11,749   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:11,750   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:11,752   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:11,753   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:11,754   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:11,755   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:11,757   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:11,758   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:11,760   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:11,761   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:11,762   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:11,764   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:11,765   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:11,766   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:11,767   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:11,769   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:11,771   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:11,772   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:11,773   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:11,774   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:11,776   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monA_3B-69.xyz'
2025-06-01T03:28:11,777   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monB_3B-69.xyz'
2025-06-01T03:28:11,778   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19a_benzene_monC_3B-69.xyz'
2025-06-01T03:28:11,779   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:11,780   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:11,781   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:11,783   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monA_3B-69.xyz'
2025-06-01T03:28:11,784   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monB_3B-69.xyz'
2025-06-01T03:28:11,785   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19b_benzene_monC_3B-69.xyz'
2025-06-01T03:28:11,786   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:11,787   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:11,789   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:11,790   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monA_3B-69.xyz'
2025-06-01T03:28:11,791   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monB_3B-69.xyz'
2025-06-01T03:28:11,792   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/19c_benzene_monC_3B-69.xyz'
2025-06-01T03:28:11,794   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,795   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,796   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,797   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,798   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,799   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20a_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,800   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,801   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,802   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,804   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,805   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,806   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20b_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,807   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:11,809   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:11,810   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:11,811   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,812   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,814   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/20c_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,815   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,816   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,817   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,819   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:11,820   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:11,821   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:11,822   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,823   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,825   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,826   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:11,827   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:11,829   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:11,830   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:11,831   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:11,833   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:11,834   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:11,836   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:11,837   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:11,839   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:11,840   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:11,841   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:11,842   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monA_3B-69.xyz'
2025-06-01T03:28:11,843   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monB_3B-69.xyz'
2025-06-01T03:28:11,844   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22a_uracil_monC_3B-69.xyz'
2025-06-01T03:28:11,845   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:11,846   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:11,848   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:11,849   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monA_3B-69.xyz'
2025-06-01T03:28:11,850   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monB_3B-69.xyz'
2025-06-01T03:28:11,851   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22b_uracil_monC_3B-69.xyz'
2025-06-01T03:28:11,852   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:11,854   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:11,855   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:11,856   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monA_3B-69.xyz'
2025-06-01T03:28:11,857   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monB_3B-69.xyz'
2025-06-01T03:28:11,858   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/22c_uracil_monC_3B-69.xyz'
2025-06-01T03:28:11,859   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:11,861   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:11,862   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:11,863   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:11,864   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:11,865   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:11,867   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:11,868   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:11,869   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:11,871   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:11,872   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:11,873   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:11,874   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:11,875   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:11,877   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:11,878   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:11,879   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:11,880   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-DIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:11,888   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monA_3B-69.xyz'
2025-06-01T03:28:11,889   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monB_3B-69.xyz'
2025-06-01T03:28:11,890   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_monC_3B-69.xyz'
2025-06-01T03:28:11,891   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01a_water_trim_3B-69.xyz'
2025-06-01T03:28:11,892   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monA_3B-69.xyz'
2025-06-01T03:28:11,893   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monB_3B-69.xyz'
2025-06-01T03:28:11,894   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_monC_3B-69.xyz'
2025-06-01T03:28:11,895   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01b_water_trim_3B-69.xyz'
2025-06-01T03:28:11,897   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monA_3B-69.xyz'
2025-06-01T03:28:11,898   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monB_3B-69.xyz'
2025-06-01T03:28:11,899   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_monC_3B-69.xyz'
2025-06-01T03:28:11,900   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/01c_water_trim_3B-69.xyz'
2025-06-01T03:28:11,901   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,902   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,903   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,904   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02a_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:11,905   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,906   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,907   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,909   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02b_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:11,910   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:11,911   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:11,912   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:11,913   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/02c_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:11,914   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,915   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,917   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,918   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03a_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:11,919   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,920   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,921   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,922   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03b_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:11,924   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:11,925   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:11,926   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:11,927   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/03c_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:11,928   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,929   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,931   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,932   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04a_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:11,933   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,934   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,935   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,936   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04b_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:11,937   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:11,938   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:11,939   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:11,941   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/04c_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:11,942   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,943   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,944   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,945   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05a_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:11,946   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,947   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,948   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,950   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05b_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:11,951   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:11,952   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:11,953   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:11,954   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/05c_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:11,955   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,957   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,958   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,959   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06a_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,960   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,961   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,962   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,964   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06b_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,965   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,966   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,967   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,969   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/06c_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,970   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,971   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,972   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,973   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07a_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,975   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,976   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,977   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,978   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07b_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,979   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:11,980   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:11,982   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:11,983   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/07c_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:11,984   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,985   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,986   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,987   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:11,989   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,990   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,991   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,992   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:11,993   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:11,994   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:11,995   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:11,997   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:11,998   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:11,999   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,000   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,001   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09a_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,003   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:12,004   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,005   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,006   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09b_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,007   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:12,009   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,010   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,011   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/09c_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,012   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:12,013   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:12,014   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:12,016   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10a_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:12,017   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:12,018   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:12,019   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:12,020   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10b_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:12,022   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:12,023   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:12,024   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:12,025   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/10c_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:12,026   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:12,027   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:12,028   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:12,030   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11a_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:12,031   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:12,032   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:12,033   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:12,034   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11b_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:12,035   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:12,036   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:12,037   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:12,039   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/11c_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:12,040   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:12,041   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:12,042   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:12,043   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12a_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:12,044   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:12,046   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:12,047   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:12,048   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12b_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:12,049   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:12,050   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:12,052   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:12,053   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/12c_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:12,054   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monA_3B-69.xyz'
2025-06-01T03:28:12,055   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monB_3B-69.xyz'
2025-06-01T03:28:12,056   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_monC_3B-69.xyz'
2025-06-01T03:28:12,058   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13a_triazine_trim_3B-69.xyz'
2025-06-01T03:28:12,059   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monA_3B-69.xyz'
2025-06-01T03:28:12,060   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monB_3B-69.xyz'
2025-06-01T03:28:12,061   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_monC_3B-69.xyz'
2025-06-01T03:28:12,062   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13b_triazine_trim_3B-69.xyz'
2025-06-01T03:28:12,063   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monA_3B-69.xyz'
2025-06-01T03:28:12,065   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monB_3B-69.xyz'
2025-06-01T03:28:12,066   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_monC_3B-69.xyz'
2025-06-01T03:28:12,067   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/13c_triazine_trim_3B-69.xyz'
2025-06-01T03:28:12,068   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:12,069   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,070   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,071   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14a_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,073   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:12,074   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,075   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,076   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14b_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,077   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:12,078   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:12,079   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:12,081   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/14c_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:12,082   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:12,083   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:12,084   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:12,085   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15a_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:12,087   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:12,088   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:12,089   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:12,090   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15b_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:12,091   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:12,093   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:12,094   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:12,095   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/15c_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:12,096   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:12,097   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:12,099   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:12,100   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16a_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:12,101   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:12,102   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:12,103   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:12,105   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16b_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:12,106   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:12,107   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:12,108   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:12,110   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/16c_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:12,111   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:12,112   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:12,113   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:12,114   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17a_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:12,115   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:12,116   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:12,117   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:12,119   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17b_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:12,120   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:12,121   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:12,122   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:12,123   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/17c_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:12,125   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:12,126   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:12,127   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:12,128   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18a_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:12,129   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:12,131   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:12,132   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:12,133   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18b_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:12,134   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:12,135   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:12,137   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:12,138   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/18c_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:12,139   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monA_3B-69.xyz'
2025-06-01T03:28:12,140   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monB_3B-69.xyz'
2025-06-01T03:28:12,142   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_monC_3B-69.xyz'
2025-06-01T03:28:12,143   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19a_benzene_trim_3B-69.xyz'
2025-06-01T03:28:12,144   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monA_3B-69.xyz'
2025-06-01T03:28:12,145   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monB_3B-69.xyz'
2025-06-01T03:28:12,146   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_monC_3B-69.xyz'
2025-06-01T03:28:12,148   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19b_benzene_trim_3B-69.xyz'
2025-06-01T03:28:12,149   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monA_3B-69.xyz'
2025-06-01T03:28:12,150   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monB_3B-69.xyz'
2025-06-01T03:28:12,152   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_monC_3B-69.xyz'
2025-06-01T03:28:12,153   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/19c_benzene_trim_3B-69.xyz'
2025-06-01T03:28:12,154   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:12,155   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:12,156   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:12,158   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20a_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:12,159   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:12,160   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:12,161   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:12,162   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20b_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:12,163   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:12,165   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:12,166   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:12,167   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/20c_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:12,168   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:12,170   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:12,171   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:12,172   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21a_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:12,173   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:12,174   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:12,175   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:12,176   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21b_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:12,178   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:12,179   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:12,180   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:12,181   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/21c_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:12,183   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monA_3B-69.xyz'
2025-06-01T03:28:12,184   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monB_3B-69.xyz'
2025-06-01T03:28:12,185   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_monC_3B-69.xyz'
2025-06-01T03:28:12,186   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22a_uracil_trim_3B-69.xyz'
2025-06-01T03:28:12,188   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monA_3B-69.xyz'
2025-06-01T03:28:12,189   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monB_3B-69.xyz'
2025-06-01T03:28:12,190   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_monC_3B-69.xyz'
2025-06-01T03:28:12,191   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22b_uracil_trim_3B-69.xyz'
2025-06-01T03:28:12,193   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monA_3B-69.xyz'
2025-06-01T03:28:12,194   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monB_3B-69.xyz'
2025-06-01T03:28:12,195   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_monC_3B-69.xyz'
2025-06-01T03:28:12,196   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/22c_uracil_trim_3B-69.xyz'
2025-06-01T03:28:12,198   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:12,199   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:12,200   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:12,201   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:12,202   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:12,203   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:12,204   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:12,206   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:12,207   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:12,208   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:12,209   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:12,210   adding 'xcbm/MGCDB84_Dataset/Geometries/3B-69-TRIM/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:12,218   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,219   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,220   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,221   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,222   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,223   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,224   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,225   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,227   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,228   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,229   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,230   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,231   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,232   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/01_water-ammonia_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,233   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,235   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,236   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,237   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,238   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,239   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,240   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,242   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,243   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,244   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,245   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,247   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,248   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,249   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/02_water-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,250   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,251   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,252   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,253   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,254   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,255   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,256   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,257   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,258   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,259   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,260   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,261   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,263   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,264   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/03_HCN-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,265   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,266   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,267   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,268   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,269   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,270   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,271   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,273   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,274   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,275   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,276   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,277   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,278   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,279   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/04_HF-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,281   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,282   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,283   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,284   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,285   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,286   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,287   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,289   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,290   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,291   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,292   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,293   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,294   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,295   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/05_ammonia-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,296   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,297   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,298   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,299   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,300   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,302   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,303   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,304   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,305   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,306   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,307   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,308   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,309   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,311   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/06_HF-methane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,312   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,313   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,314   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,315   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,316   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,318   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,319   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,320   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,321   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,322   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,323   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,325   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,326   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,327   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/07_ammonia-methane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,328   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,330   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,331   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,332   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,333   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,334   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,335   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,336   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,337   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,338   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,339   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,341   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,342   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,343   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/08_water-methane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,344   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,345   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,346   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,347   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,349   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,350   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,351   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,352   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,353   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,354   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,355   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,357   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,358   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,359   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/09_formaldehyde-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,360   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,361   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,363   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,364   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,365   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,366   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,367   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,368   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,370   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,371   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,372   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,373   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,374   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,376   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/10_water-ethene_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,377   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,378   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,379   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,380   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,381   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,382   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,383   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,384   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,385   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,387   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,388   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,389   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,390   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,391   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/11_formaldehyde-ethene_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,392   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,393   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,394   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,396   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,397   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,398   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,399   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,400   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,401   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,403   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,404   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,405   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,406   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,407   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/12_ethyne-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,409   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,410   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,411   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,412   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,414   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,415   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,416   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,417   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,418   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,419   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,420   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,421   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,422   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,424   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/13_ammonia-ethene_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,425   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,426   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,427   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,428   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,429   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,430   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,432   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,433   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,434   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,435   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,436   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,437   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,438   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,440   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/14_ethene-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,441   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,442   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,443   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,444   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,445   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,447   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,448   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,449   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,450   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,451   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,453   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,454   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,455   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,456   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/15_methane-ethene_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,457   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,459   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,460   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,461   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,462   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,463   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,464   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,465   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,466   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,467   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,469   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,470   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,471   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,472   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/16_borane-methane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,473   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,474   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,476   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,477   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,478   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,479   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,480   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,481   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,482   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,484   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,485   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,486   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,487   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,488   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/17_methane-ethane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,490   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,491   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,492   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,493   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,494   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,495   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,497   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,498   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,499   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,500   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,501   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,503   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,504   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,505   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/18_methane-ethane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,506   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,507   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,508   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,509   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,510   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,511   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,512   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,513   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,515   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,516   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,517   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,518   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,519   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,521   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/19_methane-dimer_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,522   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,523   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,524   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,525   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,526   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,527   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,529   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,530   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,531   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,532   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,533   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,534   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,536   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,537   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/20_Ar-methane_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,538   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_0p9_dim_A21x12.xyz'
2025-06-01T03:28:12,539   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_dim_A21x12.xyz'
2025-06-01T03:28:12,540   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monA_A21x12.xyz'
2025-06-01T03:28:12,541   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p0_monB_A21x12.xyz'
2025-06-01T03:28:12,543   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p1_dim_A21x12.xyz'
2025-06-01T03:28:12,544   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p2_dim_A21x12.xyz'
2025-06-01T03:28:12,545   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p3_dim_A21x12.xyz'
2025-06-01T03:28:12,546   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p4_dim_A21x12.xyz'
2025-06-01T03:28:12,547   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p5_dim_A21x12.xyz'
2025-06-01T03:28:12,548   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p6_dim_A21x12.xyz'
2025-06-01T03:28:12,549   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p7_dim_A21x12.xyz'
2025-06-01T03:28:12,550   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p8_dim_A21x12.xyz'
2025-06-01T03:28:12,551   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_1p9_dim_A21x12.xyz'
2025-06-01T03:28:12,553   adding 'xcbm/MGCDB84_Dataset/Geometries/A21x12/21_Ar-ethene_2p0_dim_A21x12.xyz'
2025-06-01T03:28:12,556   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_dim_A24.xyz'
2025-06-01T03:28:12,557   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monA_A24.xyz'
2025-06-01T03:28:12,558   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3957_01waterammonia_monB_A24.xyz'
2025-06-01T03:28:12,559   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_dim_A24.xyz'
2025-06-01T03:28:12,560   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monA_A24.xyz'
2025-06-01T03:28:12,561   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3958_02waterdimer_monB_A24.xyz'
2025-06-01T03:28:12,562   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_dim_A24.xyz'
2025-06-01T03:28:12,563   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monA_A24.xyz'
2025-06-01T03:28:12,564   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3959_03HCNdimer_monB_A24.xyz'
2025-06-01T03:28:12,565   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_dim_A24.xyz'
2025-06-01T03:28:12,566   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monA_A24.xyz'
2025-06-01T03:28:12,568   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3960_04HFdimer_monB_A24.xyz'
2025-06-01T03:28:12,569   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_dim_A24.xyz'
2025-06-01T03:28:12,570   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monA_A24.xyz'
2025-06-01T03:28:12,571   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3961_05ammoniadimer_monB_A24.xyz'
2025-06-01T03:28:12,572   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_dim_A24.xyz'
2025-06-01T03:28:12,573   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monA_A24.xyz'
2025-06-01T03:28:12,575   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3962_06HFmethane_monB_A24.xyz'
2025-06-01T03:28:12,576   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_dim_A24.xyz'
2025-06-01T03:28:12,577   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monA_A24.xyz'
2025-06-01T03:28:12,578   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3963_07ammoniamethane_monB_A24.xyz'
2025-06-01T03:28:12,579   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_dim_A24.xyz'
2025-06-01T03:28:12,580   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monA_A24.xyz'
2025-06-01T03:28:12,582   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3964_08watermethane_monB_A24.xyz'
2025-06-01T03:28:12,583   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_dim_A24.xyz'
2025-06-01T03:28:12,584   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monA_A24.xyz'
2025-06-01T03:28:12,585   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3965_09formaldehydedimer_monB_A24.xyz'
2025-06-01T03:28:12,586   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_dim_A24.xyz'
2025-06-01T03:28:12,588   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monA_A24.xyz'
2025-06-01T03:28:12,589   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3966_10waterethene_monB_A24.xyz'
2025-06-01T03:28:12,590   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_dim_A24.xyz'
2025-06-01T03:28:12,591   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monA_A24.xyz'
2025-06-01T03:28:12,592   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3967_11formaldehydeethene_monB_A24.xyz'
2025-06-01T03:28:12,593   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_dim_A24.xyz'
2025-06-01T03:28:12,594   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monA_A24.xyz'
2025-06-01T03:28:12,595   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3968_12ethynedimer_monB_A24.xyz'
2025-06-01T03:28:12,596   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_dim_A24.xyz'
2025-06-01T03:28:12,598   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monA_A24.xyz'
2025-06-01T03:28:12,599   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3969_13ammoniaethene_monB_A24.xyz'
2025-06-01T03:28:12,600   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_dim_A24.xyz'
2025-06-01T03:28:12,601   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monA_A24.xyz'
2025-06-01T03:28:12,602   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3970_14ethenedimer_monB_A24.xyz'
2025-06-01T03:28:12,603   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_dim_A24.xyz'
2025-06-01T03:28:12,604   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monA_A24.xyz'
2025-06-01T03:28:12,605   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3971_15methaneethene_monB_A24.xyz'
2025-06-01T03:28:12,606   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_dim_A24.xyz'
2025-06-01T03:28:12,607   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monA_A24.xyz'
2025-06-01T03:28:12,609   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3972_16boranemethane_monB_A24.xyz'
2025-06-01T03:28:12,610   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_dim_A24.xyz'
2025-06-01T03:28:12,611   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monA_A24.xyz'
2025-06-01T03:28:12,612   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3973_17methaneethane_monB_A24.xyz'
2025-06-01T03:28:12,613   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_dim_A24.xyz'
2025-06-01T03:28:12,614   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monA_A24.xyz'
2025-06-01T03:28:12,616   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3974_18methaneethane_monB_A24.xyz'
2025-06-01T03:28:12,617   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_dim_A24.xyz'
2025-06-01T03:28:12,618   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monA_A24.xyz'
2025-06-01T03:28:12,619   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3975_19methanedimer_monB_A24.xyz'
2025-06-01T03:28:12,620   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_dim_A24.xyz'
2025-06-01T03:28:12,622   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monA_A24.xyz'
2025-06-01T03:28:12,623   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3976_20Armethane_monB_A24.xyz'
2025-06-01T03:28:12,624   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_dim_A24.xyz'
2025-06-01T03:28:12,625   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monA_A24.xyz'
2025-06-01T03:28:12,626   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3977_21Arethene_monB_A24.xyz'
2025-06-01T03:28:12,627   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_dim_A24.xyz'
2025-06-01T03:28:12,628   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monA_A24.xyz'
2025-06-01T03:28:12,630   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3978_22etheneethyne_monB_A24.xyz'
2025-06-01T03:28:12,631   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_dim_A24.xyz'
2025-06-01T03:28:12,632   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monA_A24.xyz'
2025-06-01T03:28:12,633   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3979_23ethenedimer_monB_A24.xyz'
2025-06-01T03:28:12,634   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_dim_A24.xyz'
2025-06-01T03:28:12,635   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monA_A24.xyz'
2025-06-01T03:28:12,637   adding 'xcbm/MGCDB84_Dataset/Geometries/A24/3980_24ethynedimer_monB_A24.xyz'
2025-06-01T03:28:12,638   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/11_B_G_ACONF.xyz'
2025-06-01T03:28:12,640   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/12_B_T_ACONF.xyz'
2025-06-01T03:28:12,641   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/13_H_ggg_ACONF.xyz'
2025-06-01T03:28:12,642   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/14_H_g+t+g-_ACONF.xyz'
2025-06-01T03:28:12,643   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/15_H_gtg_ACONF.xyz'
2025-06-01T03:28:12,644   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/16_H_gtt_ACONF.xyz'
2025-06-01T03:28:12,645   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/17_H_g+x-g-_ACONF.xyz'
2025-06-01T03:28:12,647   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/18_H_g+x-t+_ACONF.xyz'
2025-06-01T03:28:12,648   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/19_H_tgg_ACONF.xyz'
2025-06-01T03:28:12,649   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/20_H_tgt_ACONF.xyz'
2025-06-01T03:28:12,650   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/21_H_t+g+x-_ACONF.xyz'
2025-06-01T03:28:12,651   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/22_H_ttt_ACONF.xyz'
2025-06-01T03:28:12,653   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/23_H_x+g-g-_ACONF.xyz'
2025-06-01T03:28:12,654   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/24_H_x+g-x+_ACONF.xyz'
2025-06-01T03:28:12,655   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/25_P_GG_ACONF.xyz'
2025-06-01T03:28:12,656   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/26_P_GX_ACONF.xyz'
2025-06-01T03:28:12,657   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/27_P_TG_ACONF.xyz'
2025-06-01T03:28:12,658   adding 'xcbm/MGCDB84_Dataset/Geometries/ACONF/28_P_TT_ACONF.xyz'
2025-06-01T03:28:12,660   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/11_H_AE18.xyz'
2025-06-01T03:28:12,661   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/12_He_AE18.xyz'
2025-06-01T03:28:12,662   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/13_Li_AE18.xyz'
2025-06-01T03:28:12,663   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/14_Be_AE18.xyz'
2025-06-01T03:28:12,664   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/15_B_AE18.xyz'
2025-06-01T03:28:12,665   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/16_C_AE18.xyz'
2025-06-01T03:28:12,666   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/17_N_AE18.xyz'
2025-06-01T03:28:12,668   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/18_O_AE18.xyz'
2025-06-01T03:28:12,669   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/19_F_AE18.xyz'
2025-06-01T03:28:12,670   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/20_Ne_AE18.xyz'
2025-06-01T03:28:12,671   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/21_Na_AE18.xyz'
2025-06-01T03:28:12,672   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/22_Mg_AE18.xyz'
2025-06-01T03:28:12,673   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/23_Al_AE18.xyz'
2025-06-01T03:28:12,674   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/24_Si_AE18.xyz'
2025-06-01T03:28:12,675   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/25_P_AE18.xyz'
2025-06-01T03:28:12,676   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/26_S_AE18.xyz'
2025-06-01T03:28:12,677   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/27_Cl_AE18.xyz'
2025-06-01T03:28:12,679   adding 'xcbm/MGCDB84_Dataset/Geometries/AE18/28_Ar_AE18.xyz'
2025-06-01T03:28:12,681   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/11_methane_Alk44.xyz'
2025-06-01T03:28:12,682   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/12_ethane_Alk44.xyz'
2025-06-01T03:28:12,683   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/133_c_W4-11.xyz'
2025-06-01T03:28:12,684   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/13_propane_Alk44.xyz'
2025-06-01T03:28:12,685   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/14_butane_Alk44.xyz'
2025-06-01T03:28:12,687   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/15_pentane_Alk44.xyz'
2025-06-01T03:28:12,688   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/16_hexane_Alk44.xyz'
2025-06-01T03:28:12,689   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/17_heptane_Alk44.xyz'
2025-06-01T03:28:12,690   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/189_h_W4-11.xyz'
2025-06-01T03:28:12,691   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/18_octane_Alk44.xyz'
2025-06-01T03:28:12,692   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/19_isobutane_Alk44.xyz'
2025-06-01T03:28:12,693   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/20_isopentane_Alk44.xyz'
2025-06-01T03:28:12,694   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/21_isohexane_Alk44.xyz'
2025-06-01T03:28:12,696   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/22_isoheptane_Alk44.xyz'
2025-06-01T03:28:12,697   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/23_isooctane_Alk44.xyz'
2025-06-01T03:28:12,698   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/24_neopentane_Alk44.xyz'
2025-06-01T03:28:12,699   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/25_neohexane_Alk44.xyz'
2025-06-01T03:28:12,700   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/26_neoheptane_Alk44.xyz'
2025-06-01T03:28:12,701   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/27_3methylpentane_Alk44.xyz'
2025-06-01T03:28:12,703   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/28_diisopropyl_Alk44.xyz'
2025-06-01T03:28:12,704   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkAtom19/29_hexamethylethane_Alk44.xyz'
2025-06-01T03:28:12,706   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,707   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,708   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/11_propane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,709   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,711   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,712   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/12_butane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,713   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,714   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,715   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/13_pentane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,717   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,718   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,719   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/14_hexane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,720   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,721   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,723   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/15_cyclopropane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,724   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,725   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,726   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/16_cyclobutane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,727   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,729   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,730   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/17_cyclopentane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,731   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_dim_AlkBind12.xyz'
2025-06-01T03:28:12,732   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monA_AlkBind12.xyz'
2025-06-01T03:28:12,733   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/18_cyclohexane_monB_AlkBind12.xyz'
2025-06-01T03:28:12,735   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_dim_AlkBind12.xyz'
2025-06-01T03:28:12,736   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monA_AlkBind12.xyz'
2025-06-01T03:28:12,737   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/19_1_3-butadiene_monB_AlkBind12.xyz'
2025-06-01T03:28:12,738   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_dim_AlkBind12.xyz'
2025-06-01T03:28:12,739   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monA_AlkBind12.xyz'
2025-06-01T03:28:12,740   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/20_1_3_5-hexatriene_monB_AlkBind12.xyz'
2025-06-01T03:28:12,741   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_dim_AlkBind12.xyz'
2025-06-01T03:28:12,742   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monA_AlkBind12.xyz'
2025-06-01T03:28:12,744   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/21_1_3-cyclobutadiene_monB_AlkBind12.xyz'
2025-06-01T03:28:12,745   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_dim_AlkBind12.xyz'
2025-06-01T03:28:12,746   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monA_AlkBind12.xyz'
2025-06-01T03:28:12,747   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkBind12/22_benzene_monB_AlkBind12.xyz'
2025-06-01T03:28:12,749   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/11_methane_Alk44.xyz'
2025-06-01T03:28:12,750   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/12_ethane_Alk44.xyz'
2025-06-01T03:28:12,751   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/13_propane_Alk44.xyz'
2025-06-01T03:28:12,752   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/14_butane_Alk44.xyz'
2025-06-01T03:28:12,753   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/15_pentane_Alk44.xyz'
2025-06-01T03:28:12,754   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/16_hexane_Alk44.xyz'
2025-06-01T03:28:12,755   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/17_heptane_Alk44.xyz'
2025-06-01T03:28:12,757   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/18_octane_Alk44.xyz'
2025-06-01T03:28:12,758   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/19_isobutane_Alk44.xyz'
2025-06-01T03:28:12,759   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/20_isopentane_Alk44.xyz'
2025-06-01T03:28:12,760   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/21_isohexane_Alk44.xyz'
2025-06-01T03:28:12,761   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/22_isoheptane_Alk44.xyz'
2025-06-01T03:28:12,763   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/23_isooctane_Alk44.xyz'
2025-06-01T03:28:12,764   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/24_neopentane_Alk44.xyz'
2025-06-01T03:28:12,765   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/25_neohexane_Alk44.xyz'
2025-06-01T03:28:12,767   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsod14/26_neoheptane_Alk44.xyz'
2025-06-01T03:28:12,769   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/14_butane_Alk44.xyz'
2025-06-01T03:28:12,770   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/15_pentane_Alk44.xyz'
2025-06-01T03:28:12,771   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/16_hexane_Alk44.xyz'
2025-06-01T03:28:12,772   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/17_heptane_Alk44.xyz'
2025-06-01T03:28:12,773   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/18_octane_Alk44.xyz'
2025-06-01T03:28:12,774   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/19_isobutane_Alk44.xyz'
2025-06-01T03:28:12,776   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/20_isopentane_Alk44.xyz'
2025-06-01T03:28:12,777   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/21_isohexane_Alk44.xyz'
2025-06-01T03:28:12,778   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/22_isoheptane_Alk44.xyz'
2025-06-01T03:28:12,779   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/23_isooctane_Alk44.xyz'
2025-06-01T03:28:12,781   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/24_neopentane_Alk44.xyz'
2025-06-01T03:28:12,782   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/25_neohexane_Alk44.xyz'
2025-06-01T03:28:12,783   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/26_neoheptane_Alk44.xyz'
2025-06-01T03:28:12,784   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/27_3methylpentane_Alk44.xyz'
2025-06-01T03:28:12,786   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/28_diisopropyl_Alk44.xyz'
2025-06-01T03:28:12,787   adding 'xcbm/MGCDB84_Dataset/Geometries/AlkIsomer11/29_hexamethylethane_Alk44.xyz'
2025-06-01T03:28:12,790   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/101_acetaldehyde_W4-11.xyz'
2025-06-01T03:28:12,791   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/110_allene_W4-11.xyz'
2025-06-01T03:28:12,793   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/112_b2h6_W4-11.xyz'
2025-06-01T03:28:12,794   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/120_bh3_W4-11.xyz'
2025-06-01T03:28:12,795   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/126_c2h2_W4-11.xyz'
2025-06-01T03:28:12,796   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/127_c2h3f_W4-11.xyz'
2025-06-01T03:28:12,797   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/128_c2h4_W4-11.xyz'
2025-06-01T03:28:12,798   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/130_c2h6_W4-11.xyz'
2025-06-01T03:28:12,799   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/131_cch_W4-11.xyz'
2025-06-01T03:28:12,800   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/133_c_W4-11.xyz'
2025-06-01T03:28:12,801   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/134_cf2_W4-11.xyz'
2025-06-01T03:28:12,802   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/136_cf_W4-11.xyz'
2025-06-01T03:28:12,803   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/137_ch2c_W4-11.xyz'
2025-06-01T03:28:12,804   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/138_ch2ch_W4-11.xyz'
2025-06-01T03:28:12,806   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/140_ch2nh2_W4-11.xyz'
2025-06-01T03:28:12,807   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/141_ch2nh_W4-11.xyz'
2025-06-01T03:28:12,808   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/143_ch2-trip_W4-11.xyz'
2025-06-01T03:28:12,809   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/144_ch3_W4-11.xyz'
2025-06-01T03:28:12,810   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/145_ch3f_W4-11.xyz'
2025-06-01T03:28:12,811   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/146_ch3nh2_W4-11.xyz'
2025-06-01T03:28:12,812   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/147_ch3nh_W4-11.xyz'
2025-06-01T03:28:12,814   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/148_ch4_W4-11.xyz'
2025-06-01T03:28:12,815   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/150_ch_W4-11.xyz'
2025-06-01T03:28:12,816   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/154_cl2o_W4-11.xyz'
2025-06-01T03:28:12,817   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/155_clcn_W4-11.xyz'
2025-06-01T03:28:12,818   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/156_cl_W4-11.xyz'
2025-06-01T03:28:12,819   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/158_clo_W4-11.xyz'
2025-06-01T03:28:12,820   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/159_cloo_W4-11.xyz'
2025-06-01T03:28:12,821   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/161_cn_W4-11.xyz'
2025-06-01T03:28:12,822   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/162_co2_W4-11.xyz'
2025-06-01T03:28:12,824   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/163_co_W4-11.xyz'
2025-06-01T03:28:12,825   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/164_cs2_W4-11.xyz'
2025-06-01T03:28:12,826   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/165_cs_W4-11.xyz'
2025-06-01T03:28:12,827   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/168_f2co_W4-11.xyz'
2025-06-01T03:28:12,828   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/170_f2o_W4-11.xyz'
2025-06-01T03:28:12,829   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/172_f_W4-11.xyz'
2025-06-01T03:28:12,831   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/173_fo2_W4-11.xyz'
2025-06-01T03:28:12,832   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/174_foof_W4-11.xyz'
2025-06-01T03:28:12,833   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/175_formic_W4-11.xyz'
2025-06-01T03:28:12,834   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/176_glyoxal_W4-11.xyz'
2025-06-01T03:28:12,835   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/178_h2co_W4-11.xyz'
2025-06-01T03:28:12,836   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/180_h2o_W4-11.xyz'
2025-06-01T03:28:12,837   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/181_h2s_W4-11.xyz'
2025-06-01T03:28:12,838   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/182_hccf_W4-11.xyz'
2025-06-01T03:28:12,839   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/184_hcn_W4-11.xyz'
2025-06-01T03:28:12,841   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/185_hcnh_W4-11.xyz'
2025-06-01T03:28:12,842   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/186_hcno_W4-11.xyz'
2025-06-01T03:28:12,843   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/187_hco_W4-11.xyz'
2025-06-01T03:28:12,844   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/188_hcof_W4-11.xyz'
2025-06-01T03:28:12,845   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/189_h_W4-11.xyz'
2025-06-01T03:28:12,846   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/191_hnc_W4-11.xyz'
2025-06-01T03:28:12,847   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/192_hnco_W4-11.xyz'
2025-06-01T03:28:12,848   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/193_hnnn_W4-11.xyz'
2025-06-01T03:28:12,849   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/194_hno_W4-11.xyz'
2025-06-01T03:28:12,850   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/195_hocl_W4-11.xyz'
2025-06-01T03:28:12,851   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/197_hof_W4-11.xyz'
2025-06-01T03:28:12,852   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/198_honc_W4-11.xyz'
2025-06-01T03:28:12,853   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/199_hoo_W4-11.xyz'
2025-06-01T03:28:12,854   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/200_hooh_W4-11.xyz'
2025-06-01T03:28:12,855   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/201_hs_W4-11.xyz'
2025-06-01T03:28:12,856   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/202_ketene_W4-11.xyz'
2025-06-01T03:28:12,858   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/203_methanol_W4-11.xyz'
2025-06-01T03:28:12,859   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/204_n2_W4-11.xyz'
2025-06-01T03:28:12,860   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/205_n2h4_W4-11.xyz'
2025-06-01T03:28:12,861   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/206_n2h_W4-11.xyz'
2025-06-01T03:28:12,862   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/207_n2o_W4-11.xyz'
2025-06-01T03:28:12,863   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/208_nccn_W4-11.xyz'
2025-06-01T03:28:12,864   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/209_n_W4-11.xyz'
2025-06-01T03:28:12,865   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/210_nh2cl_W4-11.xyz'
2025-06-01T03:28:12,867   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/211_nh2_W4-11.xyz'
2025-06-01T03:28:12,868   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/212_nh3_W4-11.xyz'
2025-06-01T03:28:12,869   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/213_nh_W4-11.xyz'
2025-06-01T03:28:12,870   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/214_no2_W4-11.xyz'
2025-06-01T03:28:12,871   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/215_no_W4-11.xyz'
2025-06-01T03:28:12,872   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/216_o2_W4-11.xyz'
2025-06-01T03:28:12,873   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/217_o3_W4-11.xyz'
2025-06-01T03:28:12,874   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/218_oclo_W4-11.xyz'
2025-06-01T03:28:12,876   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/219_o_W4-11.xyz'
2025-06-01T03:28:12,877   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/221_of_W4-11.xyz'
2025-06-01T03:28:12,878   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/222_oh_W4-11.xyz'
2025-06-01T03:28:12,879   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/225_p2_W4-11.xyz'
2025-06-01T03:28:12,880   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/226_p4_W4-11.xyz'
2025-06-01T03:28:12,881   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/230_propene_W4-11.xyz'
2025-06-01T03:28:12,882   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/231_propyne_W4-11.xyz'
2025-06-01T03:28:12,884   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/232_s2_W4-11.xyz'
2025-06-01T03:28:12,885   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/233_s2o_W4-11.xyz'
2025-06-01T03:28:12,886   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/234_s3_W4-11.xyz'
2025-06-01T03:28:12,887   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/235_s4-c2v_W4-11.xyz'
2025-06-01T03:28:12,888   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/236_s_W4-11.xyz'
2025-06-01T03:28:12,889   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/245_so2_W4-11.xyz'
2025-06-01T03:28:12,890   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/246_so3_W4-11.xyz'
2025-06-01T03:28:12,891   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/247_so_W4-11.xyz'
2025-06-01T03:28:12,892   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/248_ssh_W4-11.xyz'
2025-06-01T03:28:12,893   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/249_t-hcoh_W4-11.xyz'
2025-06-01T03:28:12,894   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/250_t-hono_W4-11.xyz'
2025-06-01T03:28:12,895   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/251_t-hooo_W4-11.xyz'
2025-06-01T03:28:12,896   adding 'xcbm/MGCDB84_Dataset/Geometries/BDE99/252_t-n2h2_W4-11.xyz'
2025-06-01T03:28:12,899   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/11_c2h4_BH76.xyz'
2025-06-01T03:28:12,900   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/12_c2h5_lower_BH76.xyz'
2025-06-01T03:28:12,901   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/14_C2H5_upper_BH76.xyz'
2025-06-01T03:28:12,902   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/15_C2H6_BH76.xyz'
2025-06-01T03:28:12,904   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/16_c3h7_BH76.xyz'
2025-06-01T03:28:12,905   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/19_ch3cl_BH76.xyz'
2025-06-01T03:28:12,906   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/20_ch3f_BH76.xyz'
2025-06-01T03:28:12,907   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/22_ch3_lower_BH76.xyz'
2025-06-01T03:28:12,908   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/23_ch3oh_lower_BH76.xyz'
2025-06-01T03:28:12,909   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/24_CH3_upper_BH76.xyz'
2025-06-01T03:28:12,910   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/25_CH4_BH76.xyz'
2025-06-01T03:28:12,911   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/26_cl-_BH76.xyz'
2025-06-01T03:28:12,912   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/29_clf_BH76.xyz'
2025-06-01T03:28:12,913   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/30_cl_lower_BH76.xyz'
2025-06-01T03:28:12,915   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/31_Cl_upper_BH76.xyz'
2025-06-01T03:28:12,916   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/32_co_BH76.xyz'
2025-06-01T03:28:12,917   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/33_f-_BH76.xyz'
2025-06-01T03:28:12,918   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/34_f2_BH76.xyz'
2025-06-01T03:28:12,919   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/35_fch3clcomp1_BH76.xyz'
2025-06-01T03:28:12,920   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/36_fch3clcomp2_BH76.xyz'
2025-06-01T03:28:12,921   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/40_f_lower_BH76.xyz'
2025-06-01T03:28:12,923   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/41_F_upper_BH76.xyz'
2025-06-01T03:28:12,924   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/42_H2_BH76.xyz'
2025-06-01T03:28:12,925   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/43_H2O_BH76.xyz'
2025-06-01T03:28:12,926   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/44_H2S_BH76.xyz'
2025-06-01T03:28:12,928   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/47_HCl_upper_BH76.xyz'
2025-06-01T03:28:12,929   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/48_hcn_BH76.xyz'
2025-06-01T03:28:12,930   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/50_hco_BH76.xyz'
2025-06-01T03:28:12,931   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/55_hf_lower_BH76.xyz'
2025-06-01T03:28:12,932   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/56_HF_upper_BH76.xyz'
2025-06-01T03:28:12,933   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/57_h_lower_BH76.xyz'
2025-06-01T03:28:12,935   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/58_hn2_BH76.xyz'
2025-06-01T03:28:12,936   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/60_hnc_BH76.xyz'
2025-06-01T03:28:12,937   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/61_hoch3fcomp1_BH76.xyz'
2025-06-01T03:28:12,938   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/62_hoch3fcomp2_BH76.xyz'
2025-06-01T03:28:12,939   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/64_HS_BH76.xyz'
2025-06-01T03:28:12,940   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/65_H_upper_BH76.xyz'
2025-06-01T03:28:12,941   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/66_n2_BH76.xyz'
2025-06-01T03:28:12,942   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/67_n2o_BH76.xyz'
2025-06-01T03:28:12,943   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/69_NH_BH76.xyz'
2025-06-01T03:28:12,944   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/70_NH2_BH76.xyz'
2025-06-01T03:28:12,945   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/71_NH3_BH76.xyz'
2025-06-01T03:28:12,946   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/72_O_BH76.xyz'
2025-06-01T03:28:12,947   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/73_oh-_BH76.xyz'
2025-06-01T03:28:12,948   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/74_oh_lower_BH76.xyz'
2025-06-01T03:28:12,950   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/75_OH_upper_BH76.xyz'
2025-06-01T03:28:12,951   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/76_PH2_BH76.xyz'
2025-06-01T03:28:12,952   adding 'xcbm/MGCDB84_Dataset/Geometries/BH76RC/77_PH3_BH76.xyz'
2025-06-01T03:28:12,955   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/11_00r_BHPERI26.xyz'
2025-06-01T03:28:12,956   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/12_02r_BHPERI26.xyz'
2025-06-01T03:28:12,957   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/13_02ts_BHPERI26.xyz'
2025-06-01T03:28:12,958   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/14_03r_BHPERI26.xyz'
2025-06-01T03:28:12,959   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/15_03ts_BHPERI26.xyz'
2025-06-01T03:28:12,960   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/16_04r_BHPERI26.xyz'
2025-06-01T03:28:12,962   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/17_04ts_BHPERI26.xyz'
2025-06-01T03:28:12,963   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/18_05r_BHPERI26.xyz'
2025-06-01T03:28:12,964   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/19_06ts_BHPERI26.xyz'
2025-06-01T03:28:12,965   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/20_07r_BHPERI26.xyz'
2025-06-01T03:28:12,967   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/21_07ts_BHPERI26.xyz'
2025-06-01T03:28:12,968   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/22_08ts_BHPERI26.xyz'
2025-06-01T03:28:12,969   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/23_09r_BHPERI26.xyz'
2025-06-01T03:28:12,970   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/24_09ts_BHPERI26.xyz'
2025-06-01T03:28:12,972   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/25_1_3-Butadiene_BHPERI26.xyz'
2025-06-01T03:28:12,973   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/26_13_c2h4_BHPERI26.xyz'
2025-06-01T03:28:12,974   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/27_1_3-Cyclopentadiene_BHPERI26.xyz'
2025-06-01T03:28:12,975   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/28_1_3-Pentadiene_BHPERI26.xyz'
2025-06-01T03:28:12,976   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/29_13r_1_BHPERI26.xyz'
2025-06-01T03:28:12,977   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/30_13r_2_BHPERI26.xyz'
2025-06-01T03:28:12,979   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/31_13r_3_BHPERI26.xyz'
2025-06-01T03:28:12,980   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/32_13r_4_BHPERI26.xyz'
2025-06-01T03:28:12,981   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/33_13r_5_BHPERI26.xyz'
2025-06-01T03:28:12,982   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/34_13r_6_BHPERI26.xyz'
2025-06-01T03:28:12,983   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/35_13r_7_BHPERI26.xyz'
2025-06-01T03:28:12,985   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/36_13r_8_BHPERI26.xyz'
2025-06-01T03:28:12,986   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/37_13r_9_BHPERI26.xyz'
2025-06-01T03:28:12,987   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/38_13ts_1a_BHPERI26.xyz'
2025-06-01T03:28:12,988   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/39_13ts_2a_BHPERI26.xyz'
2025-06-01T03:28:12,990   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/40_13ts_3a_BHPERI26.xyz'
2025-06-01T03:28:12,991   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/41_13ts_4a_BHPERI26.xyz'
2025-06-01T03:28:12,992   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/42_13ts_5a_BHPERI26.xyz'
2025-06-01T03:28:12,993   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/43_13ts_6a_BHPERI26.xyz'
2025-06-01T03:28:12,994   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/44_13ts_7a_BHPERI26.xyz'
2025-06-01T03:28:12,995   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/45_13ts_8a_BHPERI26.xyz'
2025-06-01T03:28:12,996   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/46_13ts_9a_BHPERI26.xyz'
2025-06-01T03:28:12,997   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/47_1_5-Hexadiene_BHPERI26.xyz'
2025-06-01T03:28:12,998   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/48_cis-1_3_5-Hexatriene_BHPERI26.xyz'
2025-06-01T03:28:12,999   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/49_Cis-triscyclopropacyclohexane_BHPERI26.xyz'
2025-06-01T03:28:13,001   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/50_Cyclobutene_BHPERI26.xyz'
2025-06-01T03:28:13,002   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/51_Ethylene_BHPERI26.xyz'
2025-06-01T03:28:13,003   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/52_ortho-xylylene_BHPERI26.xyz'
2025-06-01T03:28:13,004   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/53_TS1_BHPERI26.xyz'
2025-06-01T03:28:13,006   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/54_TS11_BHPERI26.xyz'
2025-06-01T03:28:13,007   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/55_TS2_BHPERI26.xyz'
2025-06-01T03:28:13,008   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/56_TS3_BHPERI26.xyz'
2025-06-01T03:28:13,010   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/57_TS4_BHPERI26.xyz'
2025-06-01T03:28:13,011   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/58_TS5_BHPERI26.xyz'
2025-06-01T03:28:13,012   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/59_TS6_BHPERI26.xyz'
2025-06-01T03:28:13,014   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/60_TS7_BHPERI26.xyz'
2025-06-01T03:28:13,015   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/61_TS8_BHPERI26.xyz'
2025-06-01T03:28:13,017   adding 'xcbm/MGCDB84_Dataset/Geometries/BHPERI26/62_TS9_BHPERI26.xyz'
2025-06-01T03:28:13,019   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/11_c1_BSR36.xyz'
2025-06-01T03:28:13,020   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/12_c2_BSR36.xyz'
2025-06-01T03:28:13,021   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/13_c2h6_BSR36.xyz'
2025-06-01T03:28:13,022   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/14_c3_BSR36.xyz'
2025-06-01T03:28:13,024   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/15_c4_BSR36.xyz'
2025-06-01T03:28:13,025   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/16_c5_BSR36.xyz'
2025-06-01T03:28:13,026   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/17_ch4_BSR36.xyz'
2025-06-01T03:28:13,027   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/18_h1_BSR36.xyz'
2025-06-01T03:28:13,028   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/19_h10_BSR36.xyz'
2025-06-01T03:28:13,030   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/20_h11_BSR36.xyz'
2025-06-01T03:28:13,031   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/21_h12_BSR36.xyz'
2025-06-01T03:28:13,032   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/22_h13_BSR36.xyz'
2025-06-01T03:28:13,033   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/23_h14_BSR36.xyz'
2025-06-01T03:28:13,035   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/24_h15_BSR36.xyz'
2025-06-01T03:28:13,036   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/25_h2_BSR36.xyz'
2025-06-01T03:28:13,037   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/26_h3_BSR36.xyz'
2025-06-01T03:28:13,038   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/27_h4_BSR36.xyz'
2025-06-01T03:28:13,039   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/28_h5_BSR36.xyz'
2025-06-01T03:28:13,041   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/29_h6_BSR36.xyz'
2025-06-01T03:28:13,042   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/30_h7_BSR36.xyz'
2025-06-01T03:28:13,043   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/31_h8_BSR36.xyz'
2025-06-01T03:28:13,044   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/32_h9_BSR36.xyz'
2025-06-01T03:28:13,046   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/33_r1_BSR36.xyz'
2025-06-01T03:28:13,047   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/34_r10_BSR36.xyz'
2025-06-01T03:28:13,048   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/35_r11_BSR36.xyz'
2025-06-01T03:28:13,049   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/36_r12_BSR36.xyz'
2025-06-01T03:28:13,051   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/37_r13_BSR36.xyz'
2025-06-01T03:28:13,052   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/38_r14_BSR36.xyz'
2025-06-01T03:28:13,053   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/39_r15_BSR36.xyz'
2025-06-01T03:28:13,055   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/40_r16_BSR36.xyz'
2025-06-01T03:28:13,056   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/41_r2_BSR36.xyz'
2025-06-01T03:28:13,057   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/42_r3_BSR36.xyz'
2025-06-01T03:28:13,058   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/43_r4_BSR36.xyz'
2025-06-01T03:28:13,060   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/44_r5_BSR36.xyz'
2025-06-01T03:28:13,061   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/45_r6_BSR36.xyz'
2025-06-01T03:28:13,062   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/46_r7_BSR36.xyz'
2025-06-01T03:28:13,063   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/47_r8_BSR36.xyz'
2025-06-01T03:28:13,065   adding 'xcbm/MGCDB84_Dataset/Geometries/BSR36/48_r9_BSR36.xyz'
2025-06-01T03:28:13,068   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_dim_Bauza30.xyz'
2025-06-01T03:28:13,069   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monA_Bauza30.xyz'
2025-06-01T03:28:13,070   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/11_Cl-_ClF_monB_Bauza30.xyz'
2025-06-01T03:28:13,071   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_dim_Bauza30.xyz'
2025-06-01T03:28:13,073   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monA_Bauza30.xyz'
2025-06-01T03:28:13,074   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/12_Br-_ClF_monB_Bauza30.xyz'
2025-06-01T03:28:13,075   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_dim_Bauza30.xyz'
2025-06-01T03:28:13,076   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monA_Bauza30.xyz'
2025-06-01T03:28:13,077   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/13_Cl-_BrF_monB_Bauza30.xyz'
2025-06-01T03:28:13,078   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_dim_Bauza30.xyz'
2025-06-01T03:28:13,079   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monA_Bauza30.xyz'
2025-06-01T03:28:13,081   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/14_Br-_BrF_monB_Bauza30.xyz'
2025-06-01T03:28:13,082   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_dim_Bauza30.xyz'
2025-06-01T03:28:13,083   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monA_Bauza30.xyz'
2025-06-01T03:28:13,084   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/15_H3N_ClF_monB_Bauza30.xyz'
2025-06-01T03:28:13,085   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_dim_Bauza30.xyz'
2025-06-01T03:28:13,086   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monA_Bauza30.xyz'
2025-06-01T03:28:13,088   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/16_H3N_BrF_monB_Bauza30.xyz'
2025-06-01T03:28:13,089   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,090   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,091   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/17_Cl-_SF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,092   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,093   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,095   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/18_Br-_SF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,096   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,097   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,098   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/19_Cl-_SeF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,099   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,100   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,101   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/20_Br-_SeF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,103   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,104   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,105   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/21_H3N_SF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,106   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,107   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,108   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/22_H3N_SeF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,109   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,110   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,112   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/23_Cl-_S=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,113   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,114   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,115   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/24_Br-_S=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,116   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,117   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,118   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/25_Cl-_Se=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,120   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,121   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,122   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/26_Br-_Se=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,123   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,124   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,125   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/27_H3N_S=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,127   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_dim_Bauza30.xyz'
2025-06-01T03:28:13,128   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monA_Bauza30.xyz'
2025-06-01T03:28:13,129   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/28_H3N_Se=CF2_monB_Bauza30.xyz'
2025-06-01T03:28:13,130   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,132   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,133   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/29_Cl-_S=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,134   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,135   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,136   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/30_Br-_S=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,138   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,139   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,140   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/31_Cl-_Se=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,142   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,143   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,144   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/32_Br-_Se=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,145   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,146   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,147   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/33_H3N_S=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,148   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,150   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,151   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/34_H3N_Se=PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,152   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,153   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,154   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/35_Cl-_PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,155   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,157   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,158   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/36_Br-_PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,159   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,160   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,161   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/37_Cl-_AsF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,163   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,164   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,165   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/38_Br-_AsF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,166   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,167   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,168   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/39_H3N_PF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,169   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_dim_Bauza30.xyz'
2025-06-01T03:28:13,171   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monA_Bauza30.xyz'
2025-06-01T03:28:13,172   adding 'xcbm/MGCDB84_Dataset/Geometries/Bauza30/40_H3N_AsF3_monB_Bauza30.xyz'
2025-06-01T03:28:13,175   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/11_B1_Butanediol65.xyz'
2025-06-01T03:28:13,176   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/12_B2_Butanediol65.xyz'
2025-06-01T03:28:13,177   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/13_B3_Butanediol65.xyz'
2025-06-01T03:28:13,178   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/14_B4_Butanediol65.xyz'
2025-06-01T03:28:13,180   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/15_B5_Butanediol65.xyz'
2025-06-01T03:28:13,181   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/16_B6_Butanediol65.xyz'
2025-06-01T03:28:13,183   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/17_B7_Butanediol65.xyz'
2025-06-01T03:28:13,184   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/18_B8_Butanediol65.xyz'
2025-06-01T03:28:13,186   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/19_B9_Butanediol65.xyz'
2025-06-01T03:28:13,187   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/20_B10_Butanediol65.xyz'
2025-06-01T03:28:13,188   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/21_B11_Butanediol65.xyz'
2025-06-01T03:28:13,190   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/22_B12_Butanediol65.xyz'
2025-06-01T03:28:13,191   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/23_B13_Butanediol65.xyz'
2025-06-01T03:28:13,193   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/24_B14_Butanediol65.xyz'
2025-06-01T03:28:13,194   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/25_B15_Butanediol65.xyz'
2025-06-01T03:28:13,195   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/26_B16_Butanediol65.xyz'
2025-06-01T03:28:13,196   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/27_B17_Butanediol65.xyz'
2025-06-01T03:28:13,197   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/28_B18_Butanediol65.xyz'
2025-06-01T03:28:13,198   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/29_B19_Butanediol65.xyz'
2025-06-01T03:28:13,199   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/30_B20_Butanediol65.xyz'
2025-06-01T03:28:13,200   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/31_B21_Butanediol65.xyz'
2025-06-01T03:28:13,202   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/32_B22_Butanediol65.xyz'
2025-06-01T03:28:13,203   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/33_B23_Butanediol65.xyz'
2025-06-01T03:28:13,204   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/34_B24_Butanediol65.xyz'
2025-06-01T03:28:13,205   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/35_B25_Butanediol65.xyz'
2025-06-01T03:28:13,207   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/36_B26_Butanediol65.xyz'
2025-06-01T03:28:13,208   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/37_B27_Butanediol65.xyz'
2025-06-01T03:28:13,209   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/38_B28_Butanediol65.xyz'
2025-06-01T03:28:13,210   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/39_B29_Butanediol65.xyz'
2025-06-01T03:28:13,212   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/40_B30_Butanediol65.xyz'
2025-06-01T03:28:13,213   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/41_B31_Butanediol65.xyz'
2025-06-01T03:28:13,214   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/42_B32_Butanediol65.xyz'
2025-06-01T03:28:13,215   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/43_B33_Butanediol65.xyz'
2025-06-01T03:28:13,216   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/44_B34_Butanediol65.xyz'
2025-06-01T03:28:13,218   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/45_B35_Butanediol65.xyz'
2025-06-01T03:28:13,219   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/46_B36_Butanediol65.xyz'
2025-06-01T03:28:13,220   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/47_B37_Butanediol65.xyz'
2025-06-01T03:28:13,221   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/48_B38_Butanediol65.xyz'
2025-06-01T03:28:13,222   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/49_B39_Butanediol65.xyz'
2025-06-01T03:28:13,224   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/50_B40_Butanediol65.xyz'
2025-06-01T03:28:13,225   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/51_B41_Butanediol65.xyz'
2025-06-01T03:28:13,226   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/52_B42_Butanediol65.xyz'
2025-06-01T03:28:13,227   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/53_B43_Butanediol65.xyz'
2025-06-01T03:28:13,229   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/54_B44_Butanediol65.xyz'
2025-06-01T03:28:13,230   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/55_B45_Butanediol65.xyz'
2025-06-01T03:28:13,231   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/56_B46_Butanediol65.xyz'
2025-06-01T03:28:13,232   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/57_B47_Butanediol65.xyz'
2025-06-01T03:28:13,234   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/58_B48_Butanediol65.xyz'
2025-06-01T03:28:13,235   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/59_B49_Butanediol65.xyz'
2025-06-01T03:28:13,236   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/60_B50_Butanediol65.xyz'
2025-06-01T03:28:13,237   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/61_B51_Butanediol65.xyz'
2025-06-01T03:28:13,239   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/62_B52_Butanediol65.xyz'
2025-06-01T03:28:13,240   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/63_B53_Butanediol65.xyz'
2025-06-01T03:28:13,241   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/64_B54_Butanediol65.xyz'
2025-06-01T03:28:13,242   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/65_B55_Butanediol65.xyz'
2025-06-01T03:28:13,243   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/66_B56_Butanediol65.xyz'
2025-06-01T03:28:13,244   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/67_B57_Butanediol65.xyz'
2025-06-01T03:28:13,245   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/68_B58_Butanediol65.xyz'
2025-06-01T03:28:13,247   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/69_B59_Butanediol65.xyz'
2025-06-01T03:28:13,248   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/70_B60_Butanediol65.xyz'
2025-06-01T03:28:13,249   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/71_B61_Butanediol65.xyz'
2025-06-01T03:28:13,250   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/72_B62_Butanediol65.xyz'
2025-06-01T03:28:13,251   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/73_B63_Butanediol65.xyz'
2025-06-01T03:28:13,253   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/74_B64_Butanediol65.xyz'
2025-06-01T03:28:13,254   adding 'xcbm/MGCDB84_Dataset/Geometries/Butanediol65/75_B65_Butanediol65.xyz'
2025-06-01T03:28:13,260   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p800_BzDC215.xyz'
2025-06-01T03:28:13,261   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_2p900_BzDC215.xyz'
2025-06-01T03:28:13,262   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p000_BzDC215.xyz'
2025-06-01T03:28:13,263   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p100_BzDC215.xyz'
2025-06-01T03:28:13,264   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p150_BzDC215.xyz'
2025-06-01T03:28:13,266   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p200_BzDC215.xyz'
2025-06-01T03:28:13,267   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p250_BzDC215.xyz'
2025-06-01T03:28:13,268   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p300_BzDC215.xyz'
2025-06-01T03:28:13,269   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p350_BzDC215.xyz'
2025-06-01T03:28:13,270   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p400_BzDC215.xyz'
2025-06-01T03:28:13,271   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p500_BzDC215.xyz'
2025-06-01T03:28:13,273   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p600_BzDC215.xyz'
2025-06-01T03:28:13,274   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p700_BzDC215.xyz'
2025-06-01T03:28:13,275   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p800_BzDC215.xyz'
2025-06-01T03:28:13,276   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_3p900_BzDC215.xyz'
2025-06-01T03:28:13,277   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p000_BzDC215.xyz'
2025-06-01T03:28:13,278   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p250_BzDC215.xyz'
2025-06-01T03:28:13,280   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p500_BzDC215.xyz'
2025-06-01T03:28:13,281   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_4p750_BzDC215.xyz'
2025-06-01T03:28:13,282   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p000_BzDC215.xyz'
2025-06-01T03:28:13,283   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_5p500_BzDC215.xyz'
2025-06-01T03:28:13,284   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p000_BzDC215.xyz'
2025-06-01T03:28:13,286   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_6p500_BzDC215.xyz'
2025-06-01T03:28:13,287   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_7p000_BzDC215.xyz'
2025-06-01T03:28:13,288   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monA_BzDC215.xyz'
2025-06-01T03:28:13,289   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/11_Benzene_Ne_monB_BzDC215.xyz'
2025-06-01T03:28:13,290   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p800_BzDC215.xyz'
2025-06-01T03:28:13,292   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_2p900_BzDC215.xyz'
2025-06-01T03:28:13,293   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p000_BzDC215.xyz'
2025-06-01T03:28:13,294   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p100_BzDC215.xyz'
2025-06-01T03:28:13,295   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p150_BzDC215.xyz'
2025-06-01T03:28:13,296   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p200_BzDC215.xyz'
2025-06-01T03:28:13,297   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p250_BzDC215.xyz'
2025-06-01T03:28:13,299   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p300_BzDC215.xyz'
2025-06-01T03:28:13,300   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p400_BzDC215.xyz'
2025-06-01T03:28:13,301   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p500_BzDC215.xyz'
2025-06-01T03:28:13,302   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p600_BzDC215.xyz'
2025-06-01T03:28:13,303   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p700_BzDC215.xyz'
2025-06-01T03:28:13,305   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p800_BzDC215.xyz'
2025-06-01T03:28:13,306   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_3p900_BzDC215.xyz'
2025-06-01T03:28:13,307   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p000_BzDC215.xyz'
2025-06-01T03:28:13,308   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p250_BzDC215.xyz'
2025-06-01T03:28:13,309   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p500_BzDC215.xyz'
2025-06-01T03:28:13,311   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_4p750_BzDC215.xyz'
2025-06-01T03:28:13,312   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p000_BzDC215.xyz'
2025-06-01T03:28:13,313   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_5p500_BzDC215.xyz'
2025-06-01T03:28:13,314   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p000_BzDC215.xyz'
2025-06-01T03:28:13,315   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_6p500_BzDC215.xyz'
2025-06-01T03:28:13,317   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_7p000_BzDC215.xyz'
2025-06-01T03:28:13,318   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monA_BzDC215.xyz'
2025-06-01T03:28:13,319   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/12_Benzene_HF_monB_BzDC215.xyz'
2025-06-01T03:28:13,320   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p800_BzDC215.xyz'
2025-06-01T03:28:13,321   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_2p900_BzDC215.xyz'
2025-06-01T03:28:13,323   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p000_BzDC215.xyz'
2025-06-01T03:28:13,324   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p100_BzDC215.xyz'
2025-06-01T03:28:13,325   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p200_BzDC215.xyz'
2025-06-01T03:28:13,327   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p250_BzDC215.xyz'
2025-06-01T03:28:13,328   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p300_BzDC215.xyz'
2025-06-01T03:28:13,329   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p350_BzDC215.xyz'
2025-06-01T03:28:13,331   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p400_BzDC215.xyz'
2025-06-01T03:28:13,332   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p500_BzDC215.xyz'
2025-06-01T03:28:13,334   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p600_BzDC215.xyz'
2025-06-01T03:28:13,335   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p700_BzDC215.xyz'
2025-06-01T03:28:13,336   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p800_BzDC215.xyz'
2025-06-01T03:28:13,338   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_3p900_BzDC215.xyz'
2025-06-01T03:28:13,339   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p000_BzDC215.xyz'
2025-06-01T03:28:13,340   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p250_BzDC215.xyz'
2025-06-01T03:28:13,341   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p500_BzDC215.xyz'
2025-06-01T03:28:13,343   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_4p750_BzDC215.xyz'
2025-06-01T03:28:13,344   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p000_BzDC215.xyz'
2025-06-01T03:28:13,345   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_5p500_BzDC215.xyz'
2025-06-01T03:28:13,346   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p000_BzDC215.xyz'
2025-06-01T03:28:13,347   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_6p500_BzDC215.xyz'
2025-06-01T03:28:13,348   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_7p000_BzDC215.xyz'
2025-06-01T03:28:13,350   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monA_BzDC215.xyz'
2025-06-01T03:28:13,351   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/13_Benzene_H2O_monB_BzDC215.xyz'
2025-06-01T03:28:13,352   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p000_BzDC215.xyz'
2025-06-01T03:28:13,353   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p100_BzDC215.xyz'
2025-06-01T03:28:13,355   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p200_BzDC215.xyz'
2025-06-01T03:28:13,356   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p300_BzDC215.xyz'
2025-06-01T03:28:13,357   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p400_BzDC215.xyz'
2025-06-01T03:28:13,358   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p500_BzDC215.xyz'
2025-06-01T03:28:13,360   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p550_BzDC215.xyz'
2025-06-01T03:28:13,361   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p600_BzDC215.xyz'
2025-06-01T03:28:13,362   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p650_BzDC215.xyz'
2025-06-01T03:28:13,363   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p700_BzDC215.xyz'
2025-06-01T03:28:13,364   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p800_BzDC215.xyz'
2025-06-01T03:28:13,366   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_3p900_BzDC215.xyz'
2025-06-01T03:28:13,367   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p000_BzDC215.xyz'
2025-06-01T03:28:13,368   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p250_BzDC215.xyz'
2025-06-01T03:28:13,369   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p500_BzDC215.xyz'
2025-06-01T03:28:13,371   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_4p750_BzDC215.xyz'
2025-06-01T03:28:13,372   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p000_BzDC215.xyz'
2025-06-01T03:28:13,373   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_5p500_BzDC215.xyz'
2025-06-01T03:28:13,375   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p000_BzDC215.xyz'
2025-06-01T03:28:13,376   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_6p500_BzDC215.xyz'
2025-06-01T03:28:13,378   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_7p000_BzDC215.xyz'
2025-06-01T03:28:13,379   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monA_BzDC215.xyz'
2025-06-01T03:28:13,380   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/14_Benzene_NH3_monB_BzDC215.xyz'
2025-06-01T03:28:13,381   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p000_BzDC215.xyz'
2025-06-01T03:28:13,383   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p100_BzDC215.xyz'
2025-06-01T03:28:13,384   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p200_BzDC215.xyz'
2025-06-01T03:28:13,385   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p300_BzDC215.xyz'
2025-06-01T03:28:13,386   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p400_BzDC215.xyz'
2025-06-01T03:28:13,387   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p500_BzDC215.xyz'
2025-06-01T03:28:13,389   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p600_BzDC215.xyz'
2025-06-01T03:28:13,390   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p700_BzDC215.xyz'
2025-06-01T03:28:13,391   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p750_BzDC215.xyz'
2025-06-01T03:28:13,392   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p800_BzDC215.xyz'
2025-06-01T03:28:13,393   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p850_BzDC215.xyz'
2025-06-01T03:28:13,394   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_3p900_BzDC215.xyz'
2025-06-01T03:28:13,395   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p000_BzDC215.xyz'
2025-06-01T03:28:13,397   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p250_BzDC215.xyz'
2025-06-01T03:28:13,398   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p500_BzDC215.xyz'
2025-06-01T03:28:13,399   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_4p750_BzDC215.xyz'
2025-06-01T03:28:13,400   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p000_BzDC215.xyz'
2025-06-01T03:28:13,401   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_5p500_BzDC215.xyz'
2025-06-01T03:28:13,402   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p000_BzDC215.xyz'
2025-06-01T03:28:13,404   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_6p500_BzDC215.xyz'
2025-06-01T03:28:13,405   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_7p000_BzDC215.xyz'
2025-06-01T03:28:13,406   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monA_BzDC215.xyz'
2025-06-01T03:28:13,407   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/15_Benzene_CH4_monB_BzDC215.xyz'
2025-06-01T03:28:13,408   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p000_BzDC215.xyz'
2025-06-01T03:28:13,410   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p100_BzDC215.xyz'
2025-06-01T03:28:13,411   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p200_BzDC215.xyz'
2025-06-01T03:28:13,412   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p300_BzDC215.xyz'
2025-06-01T03:28:13,413   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p400_BzDC215.xyz'
2025-06-01T03:28:13,414   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p450_BzDC215.xyz'
2025-06-01T03:28:13,415   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p500_BzDC215.xyz'
2025-06-01T03:28:13,417   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p525_BzDC215.xyz'
2025-06-01T03:28:13,418   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p550_BzDC215.xyz'
2025-06-01T03:28:13,419   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p600_BzDC215.xyz'
2025-06-01T03:28:13,420   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p700_BzDC215.xyz'
2025-06-01T03:28:13,421   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p800_BzDC215.xyz'
2025-06-01T03:28:13,423   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_3p900_BzDC215.xyz'
2025-06-01T03:28:13,424   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p000_BzDC215.xyz'
2025-06-01T03:28:13,425   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p250_BzDC215.xyz'
2025-06-01T03:28:13,426   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p500_BzDC215.xyz'
2025-06-01T03:28:13,428   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_4p750_BzDC215.xyz'
2025-06-01T03:28:13,429   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p000_BzDC215.xyz'
2025-06-01T03:28:13,430   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_5p500_BzDC215.xyz'
2025-06-01T03:28:13,431   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_6p000_BzDC215.xyz'
2025-06-01T03:28:13,432   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_7p000_BzDC215.xyz'
2025-06-01T03:28:13,434   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monA_BzDC215.xyz'
2025-06-01T03:28:13,435   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/16_Benzene_Ar_monB_BzDC215.xyz'
2025-06-01T03:28:13,436   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p100_BzDC215.xyz'
2025-06-01T03:28:13,437   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p200_BzDC215.xyz'
2025-06-01T03:28:13,438   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p300_BzDC215.xyz'
2025-06-01T03:28:13,439   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p400_BzDC215.xyz'
2025-06-01T03:28:13,441   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p500_BzDC215.xyz'
2025-06-01T03:28:13,442   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p550_BzDC215.xyz'
2025-06-01T03:28:13,443   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p600_BzDC215.xyz'
2025-06-01T03:28:13,444   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p650_BzDC215.xyz'
2025-06-01T03:28:13,446   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p700_BzDC215.xyz'
2025-06-01T03:28:13,447   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p800_BzDC215.xyz'
2025-06-01T03:28:13,448   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_3p900_BzDC215.xyz'
2025-06-01T03:28:13,449   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p000_BzDC215.xyz'
2025-06-01T03:28:13,451   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p250_BzDC215.xyz'
2025-06-01T03:28:13,452   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p500_BzDC215.xyz'
2025-06-01T03:28:13,453   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_4p750_BzDC215.xyz'
2025-06-01T03:28:13,454   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p000_BzDC215.xyz'
2025-06-01T03:28:13,455   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_5p500_BzDC215.xyz'
2025-06-01T03:28:13,456   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p000_BzDC215.xyz'
2025-06-01T03:28:13,458   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_6p500_BzDC215.xyz'
2025-06-01T03:28:13,459   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_7p000_BzDC215.xyz'
2025-06-01T03:28:13,460   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monA_BzDC215.xyz'
2025-06-01T03:28:13,461   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/17_Benzene_HCl_monB_BzDC215.xyz'
2025-06-01T03:28:13,462   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p200_BzDC215.xyz'
2025-06-01T03:28:13,464   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p300_BzDC215.xyz'
2025-06-01T03:28:13,465   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p400_BzDC215.xyz'
2025-06-01T03:28:13,466   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p500_BzDC215.xyz'
2025-06-01T03:28:13,467   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p600_BzDC215.xyz'
2025-06-01T03:28:13,468   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p650_BzDC215.xyz'
2025-06-01T03:28:13,469   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p700_BzDC215.xyz'
2025-06-01T03:28:13,471   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p750_BzDC215.xyz'
2025-06-01T03:28:13,472   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p800_BzDC215.xyz'
2025-06-01T03:28:13,473   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p850_BzDC215.xyz'
2025-06-01T03:28:13,475   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_3p900_BzDC215.xyz'
2025-06-01T03:28:13,476   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p000_BzDC215.xyz'
2025-06-01T03:28:13,477   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p100_BzDC215.xyz'
2025-06-01T03:28:13,478   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p200_BzDC215.xyz'
2025-06-01T03:28:13,480   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p300_BzDC215.xyz'
2025-06-01T03:28:13,481   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p500_BzDC215.xyz'
2025-06-01T03:28:13,482   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_4p750_BzDC215.xyz'
2025-06-01T03:28:13,483   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p000_BzDC215.xyz'
2025-06-01T03:28:13,484   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p250_BzDC215.xyz'
2025-06-01T03:28:13,485   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_5p500_BzDC215.xyz'
2025-06-01T03:28:13,487   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p000_BzDC215.xyz'
2025-06-01T03:28:13,488   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_6p500_BzDC215.xyz'
2025-06-01T03:28:13,489   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_7p000_BzDC215.xyz'
2025-06-01T03:28:13,490   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monA_BzDC215.xyz'
2025-06-01T03:28:13,491   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/18_Benzene_H2S_monB_BzDC215.xyz'
2025-06-01T03:28:13,492   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p400_BzDC215.xyz'
2025-06-01T03:28:13,494   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p500_BzDC215.xyz'
2025-06-01T03:28:13,495   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p600_BzDC215.xyz'
2025-06-01T03:28:13,496   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p700_BzDC215.xyz'
2025-06-01T03:28:13,497   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p800_BzDC215.xyz'
2025-06-01T03:28:13,499   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_3p900_BzDC215.xyz'
2025-06-01T03:28:13,500   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p000_BzDC215.xyz'
2025-06-01T03:28:13,501   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p050_BzDC215.xyz'
2025-06-01T03:28:13,502   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p100_BzDC215.xyz'
2025-06-01T03:28:13,504   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p200_BzDC215.xyz'
2025-06-01T03:28:13,505   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p300_BzDC215.xyz'
2025-06-01T03:28:13,506   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p400_BzDC215.xyz'
2025-06-01T03:28:13,507   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p500_BzDC215.xyz'
2025-06-01T03:28:13,508   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_4p750_BzDC215.xyz'
2025-06-01T03:28:13,510   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p000_BzDC215.xyz'
2025-06-01T03:28:13,511   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p250_BzDC215.xyz'
2025-06-01T03:28:13,512   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_5p500_BzDC215.xyz'
2025-06-01T03:28:13,513   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p000_BzDC215.xyz'
2025-06-01T03:28:13,515   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_6p500_BzDC215.xyz'
2025-06-01T03:28:13,516   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_7p000_BzDC215.xyz'
2025-06-01T03:28:13,517   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monA_BzDC215.xyz'
2025-06-01T03:28:13,518   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/19_Benzene_PH3_monB_BzDC215.xyz'
2025-06-01T03:28:13,520   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p600_BzDC215.xyz'
2025-06-01T03:28:13,521   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p700_BzDC215.xyz'
2025-06-01T03:28:13,522   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p800_BzDC215.xyz'
2025-06-01T03:28:13,523   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_3p900_BzDC215.xyz'
2025-06-01T03:28:13,524   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p000_BzDC215.xyz'
2025-06-01T03:28:13,525   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p100_BzDC215.xyz'
2025-06-01T03:28:13,526   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p150_BzDC215.xyz'
2025-06-01T03:28:13,527   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p200_BzDC215.xyz'
2025-06-01T03:28:13,529   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p250_BzDC215.xyz'
2025-06-01T03:28:13,530   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p300_BzDC215.xyz'
2025-06-01T03:28:13,531   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p400_BzDC215.xyz'
2025-06-01T03:28:13,532   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p500_BzDC215.xyz'
2025-06-01T03:28:13,533   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_4p750_BzDC215.xyz'
2025-06-01T03:28:13,535   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p000_BzDC215.xyz'
2025-06-01T03:28:13,536   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p250_BzDC215.xyz'
2025-06-01T03:28:13,537   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_5p500_BzDC215.xyz'
2025-06-01T03:28:13,538   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p000_BzDC215.xyz'
2025-06-01T03:28:13,539   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_6p500_BzDC215.xyz'
2025-06-01T03:28:13,540   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_7p000_BzDC215.xyz'
2025-06-01T03:28:13,541   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monA_BzDC215.xyz'
2025-06-01T03:28:13,542   adding 'xcbm/MGCDB84_Dataset/Geometries/BzDC215/20_Benzene_SiH4_monB_BzDC215.xyz'
2025-06-01T03:28:13,545   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/11_NH3_CEPX33.xyz'
2025-06-01T03:28:13,546   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/12_2NH3_CEPX33.xyz'
2025-06-01T03:28:13,547   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/13_3NH3_cyc_CEPX33.xyz'
2025-06-01T03:28:13,548   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/14_4NH3_cyc_CEPX33.xyz'
2025-06-01T03:28:13,549   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/15_5NH3_cyc_CEPX33.xyz'
2025-06-01T03:28:13,551   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/16_6NH3_cyc_CEPX33.xyz'
2025-06-01T03:28:13,552   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/17_6NH3_book_CEPX33.xyz'
2025-06-01T03:28:13,553   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/18_6NH3_prism_CEPX33.xyz'
2025-06-01T03:28:13,554   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/22_H2O_CEPX33.xyz'
2025-06-01T03:28:13,555   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/23_2H2O_CEPX33.xyz'
2025-06-01T03:28:13,557   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/24_3H2O_cyc_CEPX33.xyz'
2025-06-01T03:28:13,558   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/25_4H2O_cyc_CEPX33.xyz'
2025-06-01T03:28:13,559   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/26_5H2O_cyc_CEPX33.xyz'
2025-06-01T03:28:13,560   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/27_6H2O_cyc_CEPX33.xyz'
2025-06-01T03:28:13,561   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/28_6H2O_book_CEPX33.xyz'
2025-06-01T03:28:13,563   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/29_6H2O_cage_CEPX33.xyz'
2025-06-01T03:28:13,564   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/30_6H2O_prism_CEPX33.xyz'
2025-06-01T03:28:13,565   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/36_HF_CEPX33.xyz'
2025-06-01T03:28:13,566   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/37_2HF_cyc_CEPX33.xyz'
2025-06-01T03:28:13,567   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/38_3HF_cyc_CEPX33.xyz'
2025-06-01T03:28:13,568   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/39_4HF_cyc_CEPX33.xyz'
2025-06-01T03:28:13,570   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/40_5HF_cyc_CEPX33.xyz'
2025-06-01T03:28:13,571   adding 'xcbm/MGCDB84_Dataset/Geometries/CE20/41_6HF_cyc_CEPX33.xyz'
2025-06-01T03:28:13,573   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,574   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,576   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/11_C4H4N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,577   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,578   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,579   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/12_C4H4N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,580   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,581   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,582   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/13_C5H5N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,583   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,585   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,586   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/14_C5H5N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,587   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,588   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,589   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/15_C8H6N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,590   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,591   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,592   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/16_C8H6N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,594   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,595   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,596   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/17_C9H7N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,597   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,598   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,599   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/18_C9H7N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,601   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,602   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,603   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/19_C12H8N2_1_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,604   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,605   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,607   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/20_C12H8N2_1_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,608   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,609   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,610   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/21_C12H8N2_2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,611   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,613   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,614   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/22_C12H8N2_2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,615   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,616   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,617   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/23_C15H9N_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,618   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,619   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,620   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/24_C15H9N_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,622   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,623   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,624   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/25_C22H10N2_CO2_IP_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,625   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_dim_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,626   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monA_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,627   adding 'xcbm/MGCDB84_Dataset/Geometries/CO2Nitrogen16/26_C22H10N2_CO2_S_monB_CO2Nitrogen16.xyz'
2025-06-01T03:28:13,630   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod1_CR20.xyz'
2025-06-01T03:28:13,631   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10prod2_CR20.xyz'
2025-06-01T03:28:13,632   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/10react_CR20.xyz'
2025-06-01T03:28:13,633   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod1_CR20.xyz'
2025-06-01T03:28:13,635   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11prod2_CR20.xyz'
2025-06-01T03:28:13,636   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/11react_CR20.xyz'
2025-06-01T03:28:13,637   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod1_CR20.xyz'
2025-06-01T03:28:13,638   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12prod2_CR20.xyz'
2025-06-01T03:28:13,639   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/12react_CR20.xyz'
2025-06-01T03:28:13,640   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod1_CR20.xyz'
2025-06-01T03:28:13,642   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13prod2_CR20.xyz'
2025-06-01T03:28:13,643   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/13react_CR20.xyz'
2025-06-01T03:28:13,644   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod1_CR20.xyz'
2025-06-01T03:28:13,645   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14prod2_CR20.xyz'
2025-06-01T03:28:13,646   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/14react_CR20.xyz'
2025-06-01T03:28:13,647   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod1_CR20.xyz'
2025-06-01T03:28:13,649   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15prod2_CR20.xyz'
2025-06-01T03:28:13,650   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/15react_CR20.xyz'
2025-06-01T03:28:13,651   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod1_CR20.xyz'
2025-06-01T03:28:13,652   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16prod2_CR20.xyz'
2025-06-01T03:28:13,653   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/16react_CR20.xyz'
2025-06-01T03:28:13,654   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod1_CR20.xyz'
2025-06-01T03:28:13,656   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17prod2_CR20.xyz'
2025-06-01T03:28:13,657   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/17react_CR20.xyz'
2025-06-01T03:28:13,658   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod1_CR20.xyz'
2025-06-01T03:28:13,659   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18prod2_CR20.xyz'
2025-06-01T03:28:13,660   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/18react_CR20.xyz'
2025-06-01T03:28:13,661   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod1_CR20.xyz'
2025-06-01T03:28:13,662   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19prod2_CR20.xyz'
2025-06-01T03:28:13,664   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/19react_CR20.xyz'
2025-06-01T03:28:13,665   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod1_CR20.xyz'
2025-06-01T03:28:13,666   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1prod2_CR20.xyz'
2025-06-01T03:28:13,667   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/1react_CR20.xyz'
2025-06-01T03:28:13,668   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod1_CR20.xyz'
2025-06-01T03:28:13,669   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20prod2_CR20.xyz'
2025-06-01T03:28:13,670   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/20react_CR20.xyz'
2025-06-01T03:28:13,671   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod1_CR20.xyz'
2025-06-01T03:28:13,672   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2prod2_CR20.xyz'
2025-06-01T03:28:13,673   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/2react_CR20.xyz'
2025-06-01T03:28:13,675   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod1_CR20.xyz'
2025-06-01T03:28:13,676   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3prod2_CR20.xyz'
2025-06-01T03:28:13,677   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/3react_CR20.xyz'
2025-06-01T03:28:13,678   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod1_CR20.xyz'
2025-06-01T03:28:13,679   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4prod2_CR20.xyz'
2025-06-01T03:28:13,680   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/4react_CR20.xyz'
2025-06-01T03:28:13,682   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod1_CR20.xyz'
2025-06-01T03:28:13,683   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5prod2_CR20.xyz'
2025-06-01T03:28:13,684   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/5react_CR20.xyz'
2025-06-01T03:28:13,685   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod1_CR20.xyz'
2025-06-01T03:28:13,686   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6prod2_CR20.xyz'
2025-06-01T03:28:13,687   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/6react_CR20.xyz'
2025-06-01T03:28:13,688   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod1_CR20.xyz'
2025-06-01T03:28:13,690   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7prod2_CR20.xyz'
2025-06-01T03:28:13,691   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/7react_CR20.xyz'
2025-06-01T03:28:13,692   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod1_CR20.xyz'
2025-06-01T03:28:13,693   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8prod2_CR20.xyz'
2025-06-01T03:28:13,694   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/8react_CR20.xyz'
2025-06-01T03:28:13,695   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod1_CR20.xyz'
2025-06-01T03:28:13,697   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9prod2_CR20.xyz'
2025-06-01T03:28:13,698   adding 'xcbm/MGCDB84_Dataset/Geometries/CR20/9react_CR20.xyz'
2025-06-01T03:28:13,700   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10react_CRBH20.xyz'
2025-06-01T03:28:13,701   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/10ts_CRBH20.xyz'
2025-06-01T03:28:13,702   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11react_CRBH20.xyz'
2025-06-01T03:28:13,704   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/11ts_CRBH20.xyz'
2025-06-01T03:28:13,705   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12react_CRBH20.xyz'
2025-06-01T03:28:13,706   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/12ts_CRBH20.xyz'
2025-06-01T03:28:13,707   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13react_CRBH20.xyz'
2025-06-01T03:28:13,708   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/13ts_CRBH20.xyz'
2025-06-01T03:28:13,710   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14react_CRBH20.xyz'
2025-06-01T03:28:13,711   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/14ts_CRBH20.xyz'
2025-06-01T03:28:13,712   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15react_CRBH20.xyz'
2025-06-01T03:28:13,713   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/15ts_CRBH20.xyz'
2025-06-01T03:28:13,714   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16react_CRBH20.xyz'
2025-06-01T03:28:13,715   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/16ts_CRBH20.xyz'
2025-06-01T03:28:13,717   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17react_CRBH20.xyz'
2025-06-01T03:28:13,718   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/17ts_CRBH20.xyz'
2025-06-01T03:28:13,719   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18react_CRBH20.xyz'
2025-06-01T03:28:13,720   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/18ts_CRBH20.xyz'
2025-06-01T03:28:13,721   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19react_CRBH20.xyz'
2025-06-01T03:28:13,722   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/19ts_CRBH20.xyz'
2025-06-01T03:28:13,723   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1react_CRBH20.xyz'
2025-06-01T03:28:13,725   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/1ts_CRBH20.xyz'
2025-06-01T03:28:13,726   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20react_CRBH20.xyz'
2025-06-01T03:28:13,727   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/20ts_CRBH20.xyz'
2025-06-01T03:28:13,728   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2react_CRBH20.xyz'
2025-06-01T03:28:13,730   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/2ts_CRBH20.xyz'
2025-06-01T03:28:13,731   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3react_CRBH20.xyz'
2025-06-01T03:28:13,732   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/3ts_CRBH20.xyz'
2025-06-01T03:28:13,733   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4react_CRBH20.xyz'
2025-06-01T03:28:13,734   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/4ts_CRBH20.xyz'
2025-06-01T03:28:13,735   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5react_CRBH20.xyz'
2025-06-01T03:28:13,736   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/5ts_CRBH20.xyz'
2025-06-01T03:28:13,738   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6react_CRBH20.xyz'
2025-06-01T03:28:13,739   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/6ts_CRBH20.xyz'
2025-06-01T03:28:13,740   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7react_CRBH20.xyz'
2025-06-01T03:28:13,741   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/7ts_CRBH20.xyz'
2025-06-01T03:28:13,742   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8react_CRBH20.xyz'
2025-06-01T03:28:13,743   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/8ts_CRBH20.xyz'
2025-06-01T03:28:13,745   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9react_CRBH20.xyz'
2025-06-01T03:28:13,746   adding 'xcbm/MGCDB84_Dataset/Geometries/CRBH20/9ts_CRBH20.xyz'
2025-06-01T03:28:13,749   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_dim_CT20.xyz'
2025-06-01T03:28:13,750   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monA_CT20.xyz'
2025-06-01T03:28:13,751   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/11_ClF-A_monB_CT20.xyz'
2025-06-01T03:28:13,752   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_dim_CT20.xyz'
2025-06-01T03:28:13,753   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monA_CT20.xyz'
2025-06-01T03:28:13,754   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/12_ClF-B_monB_CT20.xyz'
2025-06-01T03:28:13,755   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_dim_CT20.xyz'
2025-06-01T03:28:13,757   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monA_CT20.xyz'
2025-06-01T03:28:13,758   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/13_ClF-C_monB_CT20.xyz'
2025-06-01T03:28:13,759   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_dim_CT20.xyz'
2025-06-01T03:28:13,760   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monA_CT20.xyz'
2025-06-01T03:28:13,761   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/14_ClF-D_monB_CT20.xyz'
2025-06-01T03:28:13,762   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_dim_CT20.xyz'
2025-06-01T03:28:13,763   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monA_CT20.xyz'
2025-06-01T03:28:13,764   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/15_ClF-E_monB_CT20.xyz'
2025-06-01T03:28:13,766   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_dim_CT20.xyz'
2025-06-01T03:28:13,767   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monA_CT20.xyz'
2025-06-01T03:28:13,768   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/16_HF-A_monB_CT20.xyz'
2025-06-01T03:28:13,769   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_dim_CT20.xyz'
2025-06-01T03:28:13,770   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monA_CT20.xyz'
2025-06-01T03:28:13,771   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/17_HF-B_monB_CT20.xyz'
2025-06-01T03:28:13,772   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_dim_CT20.xyz'
2025-06-01T03:28:13,773   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monA_CT20.xyz'
2025-06-01T03:28:13,774   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/18_HF-C_monB_CT20.xyz'
2025-06-01T03:28:13,775   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_dim_CT20.xyz'
2025-06-01T03:28:13,776   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monA_CT20.xyz'
2025-06-01T03:28:13,778   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/19_HF-D_monB_CT20.xyz'
2025-06-01T03:28:13,779   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_dim_CT20.xyz'
2025-06-01T03:28:13,780   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monA_CT20.xyz'
2025-06-01T03:28:13,781   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/20_HF-E_monB_CT20.xyz'
2025-06-01T03:28:13,782   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_dim_CT20.xyz'
2025-06-01T03:28:13,783   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monA_CT20.xyz'
2025-06-01T03:28:13,784   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/21_HNC-A_monB_CT20.xyz'
2025-06-01T03:28:13,785   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_dim_CT20.xyz'
2025-06-01T03:28:13,787   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monA_CT20.xyz'
2025-06-01T03:28:13,788   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/22_HNC-B_monB_CT20.xyz'
2025-06-01T03:28:13,789   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_dim_CT20.xyz'
2025-06-01T03:28:13,790   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monA_CT20.xyz'
2025-06-01T03:28:13,791   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/23_HNC-C_monB_CT20.xyz'
2025-06-01T03:28:13,792   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_dim_CT20.xyz'
2025-06-01T03:28:13,793   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monA_CT20.xyz'
2025-06-01T03:28:13,794   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/24_HNC-D_monB_CT20.xyz'
2025-06-01T03:28:13,796   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_dim_CT20.xyz'
2025-06-01T03:28:13,797   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monA_CT20.xyz'
2025-06-01T03:28:13,798   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/25_HNC-E_monB_CT20.xyz'
2025-06-01T03:28:13,799   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_dim_CT20.xyz'
2025-06-01T03:28:13,800   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monA_CT20.xyz'
2025-06-01T03:28:13,801   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/26_HCN-A_monB_CT20.xyz'
2025-06-01T03:28:13,803   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_dim_CT20.xyz'
2025-06-01T03:28:13,804   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monA_CT20.xyz'
2025-06-01T03:28:13,805   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/27_HCN-B_monB_CT20.xyz'
2025-06-01T03:28:13,806   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_dim_CT20.xyz'
2025-06-01T03:28:13,807   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monA_CT20.xyz'
2025-06-01T03:28:13,808   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/28_HCN-C_monB_CT20.xyz'
2025-06-01T03:28:13,810   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_dim_CT20.xyz'
2025-06-01T03:28:13,811   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monA_CT20.xyz'
2025-06-01T03:28:13,812   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/29_HCN-D_monB_CT20.xyz'
2025-06-01T03:28:13,813   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_dim_CT20.xyz'
2025-06-01T03:28:13,814   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monA_CT20.xyz'
2025-06-01T03:28:13,815   adding 'xcbm/MGCDB84_Dataset/Geometries/CT20/30_HCN-E_monB_CT20.xyz'
2025-06-01T03:28:13,817   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/11_1_CYCONF.xyz'
2025-06-01T03:28:13,818   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/12_10_CYCONF.xyz'
2025-06-01T03:28:13,819   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/13_11_CYCONF.xyz'
2025-06-01T03:28:13,821   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/14_2_CYCONF.xyz'
2025-06-01T03:28:13,822   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/15_3_CYCONF.xyz'
2025-06-01T03:28:13,823   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/16_4_CYCONF.xyz'
2025-06-01T03:28:13,824   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/17_5_CYCONF.xyz'
2025-06-01T03:28:13,825   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/18_6_CYCONF.xyz'
2025-06-01T03:28:13,826   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/19_7_CYCONF.xyz'
2025-06-01T03:28:13,827   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/20_8_CYCONF.xyz'
2025-06-01T03:28:13,829   adding 'xcbm/MGCDB84_Dataset/Geometries/CYCONF/21_9_CYCONF.xyz'
2025-06-01T03:28:13,831   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/11_c2h4_BH76.xyz'
2025-06-01T03:28:13,832   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/12_c2h5_lower_BH76.xyz'
2025-06-01T03:28:13,833   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/13_c2h5ts_BH76.xyz'
2025-06-01T03:28:13,834   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/20_ch3f_BH76.xyz'
2025-06-01T03:28:13,835   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/21_ch3fclts_BH76.xyz'
2025-06-01T03:28:13,837   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/22_ch3_lower_BH76.xyz'
2025-06-01T03:28:13,838   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/23_ch3oh_lower_BH76.xyz'
2025-06-01T03:28:13,839   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/24_CH3_upper_BH76.xyz'
2025-06-01T03:28:13,840   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/25_CH4_BH76.xyz'
2025-06-01T03:28:13,841   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/27_clch3clcomp_BH76.xyz'
2025-06-01T03:28:13,843   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/28_clch3clts_BH76.xyz'
2025-06-01T03:28:13,844   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/29_clf_BH76.xyz'
2025-06-01T03:28:13,845   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/30_cl_lower_BH76.xyz'
2025-06-01T03:28:13,846   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/33_f-_BH76.xyz'
2025-06-01T03:28:13,847   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/35_fch3clcomp1_BH76.xyz'
2025-06-01T03:28:13,848   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/36_fch3clcomp2_BH76.xyz'
2025-06-01T03:28:13,849   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/37_fch3clts_BH76.xyz'
2025-06-01T03:28:13,851   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/42_H2_BH76.xyz'
2025-06-01T03:28:13,852   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/43_H2O_BH76.xyz'
2025-06-01T03:28:13,853   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/44_H2S_BH76.xyz'
2025-06-01T03:28:13,854   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/45_hclhts_BH76.xyz'
2025-06-01T03:28:13,855   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/46_hcl_lower_BH76.xyz'
2025-06-01T03:28:13,856   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/48_hcn_BH76.xyz'
2025-06-01T03:28:13,857   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/49_hcnts_BH76.xyz'
2025-06-01T03:28:13,858   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/57_h_lower_BH76.xyz'
2025-06-01T03:28:13,860   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/58_hn2_BH76.xyz'
2025-06-01T03:28:13,861   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/59_hn2ts_BH76.xyz'
2025-06-01T03:28:13,862   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/60_hnc_BH76.xyz'
2025-06-01T03:28:13,863   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/63_hoch3fts_BH76.xyz'
2025-06-01T03:28:13,864   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/64_HS_BH76.xyz'
2025-06-01T03:28:13,865   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/65_H_upper_BH76.xyz'
2025-06-01T03:28:13,866   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/66_n2_BH76.xyz'
2025-06-01T03:28:13,868   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/67_n2o_BH76.xyz'
2025-06-01T03:28:13,869   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/68_n2ohts_BH76.xyz'
2025-06-01T03:28:13,870   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/72_O_BH76.xyz'
2025-06-01T03:28:13,871   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/73_oh-_BH76.xyz'
2025-06-01T03:28:13,872   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/74_oh_lower_BH76.xyz'
2025-06-01T03:28:13,873   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/75_OH_upper_BH76.xyz'
2025-06-01T03:28:13,874   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/81_RKT04_BH76.xyz'
2025-06-01T03:28:13,875   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/89_RKT14_BH76.xyz'
2025-06-01T03:28:13,876   adding 'xcbm/MGCDB84_Dataset/Geometries/DBH24/90_RKT16_BH76.xyz'
2025-06-01T03:28:13,880   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10prod_DIE60.xyz'
2025-06-01T03:28:13,881   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/10react_DIE60.xyz'
2025-06-01T03:28:13,882   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11prod_DIE60.xyz'
2025-06-01T03:28:13,883   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/11react_DIE60.xyz'
2025-06-01T03:28:13,885   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12prod_DIE60.xyz'
2025-06-01T03:28:13,886   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/12react_DIE60.xyz'
2025-06-01T03:28:13,887   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13prod_DIE60.xyz'
2025-06-01T03:28:13,888   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/13react_DIE60.xyz'
2025-06-01T03:28:13,889   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14prod_DIE60.xyz'
2025-06-01T03:28:13,890   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/14react_DIE60.xyz'
2025-06-01T03:28:13,892   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15prod_DIE60.xyz'
2025-06-01T03:28:13,893   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/15react_DIE60.xyz'
2025-06-01T03:28:13,894   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16prod_DIE60.xyz'
2025-06-01T03:28:13,895   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/16react_DIE60.xyz'
2025-06-01T03:28:13,896   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17prod_DIE60.xyz'
2025-06-01T03:28:13,898   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/17react_DIE60.xyz'
2025-06-01T03:28:13,899   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18prod_DIE60.xyz'
2025-06-01T03:28:13,900   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/18react_DIE60.xyz'
2025-06-01T03:28:13,901   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19prod_DIE60.xyz'
2025-06-01T03:28:13,902   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/19react_DIE60.xyz'
2025-06-01T03:28:13,904   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1prod_DIE60.xyz'
2025-06-01T03:28:13,905   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/1react_DIE60.xyz'
2025-06-01T03:28:13,906   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20prod_DIE60.xyz'
2025-06-01T03:28:13,907   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/20react_DIE60.xyz'
2025-06-01T03:28:13,908   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21prod_DIE60.xyz'
2025-06-01T03:28:13,909   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/21react_DIE60.xyz'
2025-06-01T03:28:13,910   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22prod_DIE60.xyz'
2025-06-01T03:28:13,912   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/22react_DIE60.xyz'
2025-06-01T03:28:13,913   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23prod_DIE60.xyz'
2025-06-01T03:28:13,914   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/23react_DIE60.xyz'
2025-06-01T03:28:13,915   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24prod_DIE60.xyz'
2025-06-01T03:28:13,916   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/24react_DIE60.xyz'
2025-06-01T03:28:13,917   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25prod_DIE60.xyz'
2025-06-01T03:28:13,919   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/25react_DIE60.xyz'
2025-06-01T03:28:13,920   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26prod_DIE60.xyz'
2025-06-01T03:28:13,921   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/26react_DIE60.xyz'
2025-06-01T03:28:13,922   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27prod_DIE60.xyz'
2025-06-01T03:28:13,923   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/27react_DIE60.xyz'
2025-06-01T03:28:13,925   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28prod_DIE60.xyz'
2025-06-01T03:28:13,926   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/28react_DIE60.xyz'
2025-06-01T03:28:13,927   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29prod_DIE60.xyz'
2025-06-01T03:28:13,928   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/29react_DIE60.xyz'
2025-06-01T03:28:13,929   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2prod_DIE60.xyz'
2025-06-01T03:28:13,930   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/2react_DIE60.xyz'
2025-06-01T03:28:13,931   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30prod_DIE60.xyz'
2025-06-01T03:28:13,932   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/30react_DIE60.xyz'
2025-06-01T03:28:13,933   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31prod_DIE60.xyz'
2025-06-01T03:28:13,935   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/31react_DIE60.xyz'
2025-06-01T03:28:13,936   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32prod_DIE60.xyz'
2025-06-01T03:28:13,937   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/32react_DIE60.xyz'
2025-06-01T03:28:13,938   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33prod_DIE60.xyz'
2025-06-01T03:28:13,940   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/33react_DIE60.xyz'
2025-06-01T03:28:13,941   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34prod_DIE60.xyz'
2025-06-01T03:28:13,942   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/34react_DIE60.xyz'
2025-06-01T03:28:13,943   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35prod_DIE60.xyz'
2025-06-01T03:28:13,944   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/35react_DIE60.xyz'
2025-06-01T03:28:13,945   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36prod_DIE60.xyz'
2025-06-01T03:28:13,946   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/36react_DIE60.xyz'
2025-06-01T03:28:13,948   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37prod_DIE60.xyz'
2025-06-01T03:28:13,949   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/37react_DIE60.xyz'
2025-06-01T03:28:13,950   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38prod_DIE60.xyz'
2025-06-01T03:28:13,951   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/38react_DIE60.xyz'
2025-06-01T03:28:13,952   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39prod_DIE60.xyz'
2025-06-01T03:28:13,953   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/39react_DIE60.xyz'
2025-06-01T03:28:13,955   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3prod_DIE60.xyz'
2025-06-01T03:28:13,956   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/3react_DIE60.xyz'
2025-06-01T03:28:13,957   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40prod_DIE60.xyz'
2025-06-01T03:28:13,958   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/40react_DIE60.xyz'
2025-06-01T03:28:13,959   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41prod_DIE60.xyz'
2025-06-01T03:28:13,961   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/41react_DIE60.xyz'
2025-06-01T03:28:13,962   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42prod_DIE60.xyz'
2025-06-01T03:28:13,963   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/42react_DIE60.xyz'
2025-06-01T03:28:13,964   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43prod_DIE60.xyz'
2025-06-01T03:28:13,965   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/43react_DIE60.xyz'
2025-06-01T03:28:13,967   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44prod_DIE60.xyz'
2025-06-01T03:28:13,968   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/44react_DIE60.xyz'
2025-06-01T03:28:13,969   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45prod_DIE60.xyz'
2025-06-01T03:28:13,970   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/45react_DIE60.xyz'
2025-06-01T03:28:13,971   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46prod_DIE60.xyz'
2025-06-01T03:28:13,973   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/46react_DIE60.xyz'
2025-06-01T03:28:13,974   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47prod_DIE60.xyz'
2025-06-01T03:28:13,975   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/47react_DIE60.xyz'
2025-06-01T03:28:13,976   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48prod_DIE60.xyz'
2025-06-01T03:28:13,977   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/48react_DIE60.xyz'
2025-06-01T03:28:13,978   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49prod_DIE60.xyz'
2025-06-01T03:28:13,980   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/49react_DIE60.xyz'
2025-06-01T03:28:13,981   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4prod_DIE60.xyz'
2025-06-01T03:28:13,982   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/4react_DIE60.xyz'
2025-06-01T03:28:13,983   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50prod_DIE60.xyz'
2025-06-01T03:28:13,984   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/50react_DIE60.xyz'
2025-06-01T03:28:13,985   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51prod_DIE60.xyz'
2025-06-01T03:28:13,986   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/51react_DIE60.xyz'
2025-06-01T03:28:13,987   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52prod_DIE60.xyz'
2025-06-01T03:28:13,988   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/52react_DIE60.xyz'
2025-06-01T03:28:13,990   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53prod_DIE60.xyz'
2025-06-01T03:28:13,991   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/53react_DIE60.xyz'
2025-06-01T03:28:13,992   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54prod_DIE60.xyz'
2025-06-01T03:28:13,993   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/54react_DIE60.xyz'
2025-06-01T03:28:13,994   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55prod_DIE60.xyz'
2025-06-01T03:28:13,995   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/55react_DIE60.xyz'
2025-06-01T03:28:13,997   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56prod_DIE60.xyz'
2025-06-01T03:28:13,998   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/56react_DIE60.xyz'
2025-06-01T03:28:13,999   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57prod_DIE60.xyz'
2025-06-01T03:28:14,000   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/57react_DIE60.xyz'
2025-06-01T03:28:14,001   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58prod_DIE60.xyz'
2025-06-01T03:28:14,002   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/58react_DIE60.xyz'
2025-06-01T03:28:14,004   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59prod_DIE60.xyz'
2025-06-01T03:28:14,005   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/59react_DIE60.xyz'
2025-06-01T03:28:14,006   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5prod_DIE60.xyz'
2025-06-01T03:28:14,007   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/5react_DIE60.xyz'
2025-06-01T03:28:14,008   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60prod_DIE60.xyz'
2025-06-01T03:28:14,009   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/60react_DIE60.xyz'
2025-06-01T03:28:14,011   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6prod_DIE60.xyz'
2025-06-01T03:28:14,012   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/6react_DIE60.xyz'
2025-06-01T03:28:14,013   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7prod_DIE60.xyz'
2025-06-01T03:28:14,014   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/7react_DIE60.xyz'
2025-06-01T03:28:14,015   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8prod_DIE60.xyz'
2025-06-01T03:28:14,017   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/8react_DIE60.xyz'
2025-06-01T03:28:14,018   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9prod_DIE60.xyz'
2025-06-01T03:28:14,019   adding 'xcbm/MGCDB84_Dataset/Geometries/DIE60/9react_DIE60.xyz'
2025-06-01T03:28:14,022   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_dim_DS14.xyz'
2025-06-01T03:28:14,023   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monA_DS14.xyz'
2025-06-01T03:28:14,025   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/11_ch3oh_ch3sch3_cs_monB_DS14.xyz'
2025-06-01T03:28:14,026   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_dim_DS14.xyz'
2025-06-01T03:28:14,027   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monA_DS14.xyz'
2025-06-01T03:28:14,028   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/12_ch3sch3_benzene_c2v_monB_DS14.xyz'
2025-06-01T03:28:14,030   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_dim_DS14.xyz'
2025-06-01T03:28:14,031   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monA_DS14.xyz'
2025-06-01T03:28:14,032   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/13_ch3sh_benzene_cs_monB_DS14.xyz'
2025-06-01T03:28:14,033   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_dim_DS14.xyz'
2025-06-01T03:28:14,034   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monA_DS14.xyz'
2025-06-01T03:28:14,035   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/14_ch3sh_dimer_monB_DS14.xyz'
2025-06-01T03:28:14,036   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_dim_DS14.xyz'
2025-06-01T03:28:14,037   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monA_DS14.xyz'
2025-06-01T03:28:14,038   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/15_ch3sh_h2co_monB_DS14.xyz'
2025-06-01T03:28:14,040   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_dim_DS14.xyz'
2025-06-01T03:28:14,041   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monA_DS14.xyz'
2025-06-01T03:28:14,042   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/16_ch3sh_h2o_cs_monB_DS14.xyz'
2025-06-01T03:28:14,043   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_dim_DS14.xyz'
2025-06-01T03:28:14,044   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monA_DS14.xyz'
2025-06-01T03:28:14,045   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/17_ch3sh_nh3_cs_monB_DS14.xyz'
2025-06-01T03:28:14,046   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_dim_DS14.xyz'
2025-06-01T03:28:14,047   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monA_DS14.xyz'
2025-06-01T03:28:14,048   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/18_formamide_ch3sh_monB_DS14.xyz'
2025-06-01T03:28:14,049   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_dim_DS14.xyz'
2025-06-01T03:28:14,050   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monA_DS14.xyz'
2025-06-01T03:28:14,052   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/19_h2o_ch3sch3_cs_monB_DS14.xyz'
2025-06-01T03:28:14,053   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_dim_DS14.xyz'
2025-06-01T03:28:14,054   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monA_DS14.xyz'
2025-06-01T03:28:14,055   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/20_h2o_dimer_cs_monB_DS14.xyz'
2025-06-01T03:28:14,056   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_dim_DS14.xyz'
2025-06-01T03:28:14,057   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monA_DS14.xyz'
2025-06-01T03:28:14,058   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/21_h2o_h2s_cs_monB_DS14.xyz'
2025-06-01T03:28:14,060   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_dim_DS14.xyz'
2025-06-01T03:28:14,061   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monA_DS14.xyz'
2025-06-01T03:28:14,062   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/22_h2s_ch4_monB_DS14.xyz'
2025-06-01T03:28:14,063   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_dim_DS14.xyz'
2025-06-01T03:28:14,064   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monA_DS14.xyz'
2025-06-01T03:28:14,065   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/23_h2s_dimer_cs_monB_DS14.xyz'
2025-06-01T03:28:14,067   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_dim_DS14.xyz'
2025-06-01T03:28:14,068   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monA_DS14.xyz'
2025-06-01T03:28:14,069   adding 'xcbm/MGCDB84_Dataset/Geometries/DS14/24_h2s_h2o_cs_monB_DS14.xyz'
2025-06-01T03:28:14,071   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/11_C-_EA13.xyz'
2025-06-01T03:28:14,072   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/12_C_EA13.xyz'
2025-06-01T03:28:14,073   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/13_Cl2-_EA13.xyz'
2025-06-01T03:28:14,074   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/14_Cl2_EA13.xyz'
2025-06-01T03:28:14,076   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/15_Cl-_EA13.xyz'
2025-06-01T03:28:14,077   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/16_Cl_EA13.xyz'
2025-06-01T03:28:14,078   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/17_O2-_EA13.xyz'
2025-06-01T03:28:14,079   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/18_O2_EA13.xyz'
2025-06-01T03:28:14,080   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/19_O-_EA13.xyz'
2025-06-01T03:28:14,081   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/20_O_EA13.xyz'
2025-06-01T03:28:14,082   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/21_OH-_EA13.xyz'
2025-06-01T03:28:14,083   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/22_OH_EA13.xyz'
2025-06-01T03:28:14,084   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/23_P-_EA13.xyz'
2025-06-01T03:28:14,085   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/24_P_EA13.xyz'
2025-06-01T03:28:14,086   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/25_PH2-_EA13.xyz'
2025-06-01T03:28:14,087   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/26_PH2_EA13.xyz'
2025-06-01T03:28:14,088   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/27_PH-_EA13.xyz'
2025-06-01T03:28:14,090   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/28_PH_EA13.xyz'
2025-06-01T03:28:14,091   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/29_S2-_EA13.xyz'
2025-06-01T03:28:14,092   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/30_S2_EA13.xyz'
2025-06-01T03:28:14,093   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/31_S-_EA13.xyz'
2025-06-01T03:28:14,094   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/32_S_EA13.xyz'
2025-06-01T03:28:14,095   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/33_SH-_EA13.xyz'
2025-06-01T03:28:14,096   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/34_SH_EA13.xyz'
2025-06-01T03:28:14,097   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/35_Si-_EA13.xyz'
2025-06-01T03:28:14,098   adding 'xcbm/MGCDB84_Dataset/Geometries/EA13/36_Si_EA13.xyz'
2025-06-01T03:28:14,100   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/11_Reactant1_EIE22.xyz'
2025-06-01T03:28:14,101   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/12_Product1_EIE22.xyz'
2025-06-01T03:28:14,102   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/13_Reactant2_EIE22.xyz'
2025-06-01T03:28:14,104   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/14_Product2_EIE22.xyz'
2025-06-01T03:28:14,105   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/15_Reactant3_EIE22.xyz'
2025-06-01T03:28:14,106   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/16_Product3_EIE22.xyz'
2025-06-01T03:28:14,107   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/17_Reactant4_EIE22.xyz'
2025-06-01T03:28:14,108   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/18_Product4_EIE22.xyz'
2025-06-01T03:28:14,109   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/19_Reactant5_EIE22.xyz'
2025-06-01T03:28:14,111   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/20_Product5_EIE22.xyz'
2025-06-01T03:28:14,112   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/21_Reactant6_EIE22.xyz'
2025-06-01T03:28:14,113   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/22_Product6_EIE22.xyz'
2025-06-01T03:28:14,114   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/23_Reactant7_EIE22.xyz'
2025-06-01T03:28:14,115   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/24_Product7_EIE22.xyz'
2025-06-01T03:28:14,117   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/25_Reactant8_EIE22.xyz'
2025-06-01T03:28:14,118   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/26_Product8_EIE22.xyz'
2025-06-01T03:28:14,119   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/27_Reactant9_EIE22.xyz'
2025-06-01T03:28:14,120   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/28_Product9_EIE22.xyz'
2025-06-01T03:28:14,122   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/29_Reactant10_EIE22.xyz'
2025-06-01T03:28:14,123   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/30_Product10_EIE22.xyz'
2025-06-01T03:28:14,124   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/31_Reactant11_EIE22.xyz'
2025-06-01T03:28:14,126   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/32_Product11_EIE22.xyz'
2025-06-01T03:28:14,127   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/33_Reactant12_EIE22.xyz'
2025-06-01T03:28:14,128   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/34_Product12_EIE22.xyz'
2025-06-01T03:28:14,130   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/35_Reactant13_EIE22.xyz'
2025-06-01T03:28:14,131   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/36_Product13_EIE22.xyz'
2025-06-01T03:28:14,132   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/37_Reactant14_EIE22.xyz'
2025-06-01T03:28:14,133   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/38_Product14_EIE22.xyz'
2025-06-01T03:28:14,134   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/39_Reactant15_EIE22.xyz'
2025-06-01T03:28:14,135   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/40_Product15_EIE22.xyz'
2025-06-01T03:28:14,136   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/41_Reactant16_EIE22.xyz'
2025-06-01T03:28:14,137   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/42_Product16_EIE22.xyz'
2025-06-01T03:28:14,138   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/43_Reactant17_EIE22.xyz'
2025-06-01T03:28:14,140   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/44_Product17_EIE22.xyz'
2025-06-01T03:28:14,141   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/45_Reactant18_EIE22.xyz'
2025-06-01T03:28:14,142   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/46_Product18_EIE22.xyz'
2025-06-01T03:28:14,143   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/47_Reactant19_EIE22.xyz'
2025-06-01T03:28:14,144   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/48_Product19_EIE22.xyz'
2025-06-01T03:28:14,145   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/49_Reactant20_EIE22.xyz'
2025-06-01T03:28:14,146   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/50_Product20_EIE22.xyz'
2025-06-01T03:28:14,148   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/51_Reactant21_EIE22.xyz'
2025-06-01T03:28:14,149   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/52_Product21_EIE22.xyz'
2025-06-01T03:28:14,150   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/53_Reactant22_EIE22.xyz'
2025-06-01T03:28:14,151   adding 'xcbm/MGCDB84_Dataset/Geometries/EIE22/54_Product22_EIE22.xyz'
2025-06-01T03:28:14,155   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_FmH2O10.xyz'
2025-06-01T03:28:14,156   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,157   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,158   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,160   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,161   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,162   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,163   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,165   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,166   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,167   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,168   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/11_Isomer1_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,170   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_FmH2O10.xyz'
2025-06-01T03:28:14,171   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,172   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,173   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,175   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,176   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,177   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,178   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,179   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,180   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,181   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,182   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/12_Isomer2_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,184   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_FmH2O10.xyz'
2025-06-01T03:28:14,185   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,186   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,187   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,188   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,189   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,190   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,191   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,192   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,193   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,194   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,195   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/13_Isomer3_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,197   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_FmH2O10.xyz'
2025-06-01T03:28:14,198   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,199   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,200   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,201   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,202   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,204   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,205   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,206   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,207   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,209   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,210   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/14_Isomer4_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,211   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_FmH2O10.xyz'
2025-06-01T03:28:14,212   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,214   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,215   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,216   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,217   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,219   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,220   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,221   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,222   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,223   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,224   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/15_Isomer5_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,226   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_FmH2O10.xyz'
2025-06-01T03:28:14,227   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,228   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,229   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,230   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,231   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,232   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,233   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,234   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,236   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,237   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,238   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/16_Isomer6_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,239   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_FmH2O10.xyz'
2025-06-01T03:28:14,240   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,241   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,243   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,244   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,245   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,246   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,247   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,248   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,249   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,251   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,252   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/17_Isomer7_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,253   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_FmH2O10.xyz'
2025-06-01T03:28:14,254   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,255   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,256   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,258   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,259   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,260   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,261   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,262   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,264   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,265   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,266   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/18_Isomer8_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,267   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_FmH2O10.xyz'
2025-06-01T03:28:14,269   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,270   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,271   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,272   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,273   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,274   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,275   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,277   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,278   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,279   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,280   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/19_Isomer9_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,281   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_FmH2O10.xyz'
2025-06-01T03:28:14,282   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon10_FmH2O10.xyz'
2025-06-01T03:28:14,283   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon11_FmH2O10.xyz'
2025-06-01T03:28:14,284   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon1_FmH2O10.xyz'
2025-06-01T03:28:14,285   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon2_FmH2O10.xyz'
2025-06-01T03:28:14,286   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon3_FmH2O10.xyz'
2025-06-01T03:28:14,287   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon4_FmH2O10.xyz'
2025-06-01T03:28:14,288   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon5_FmH2O10.xyz'
2025-06-01T03:28:14,289   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon6_FmH2O10.xyz'
2025-06-01T03:28:14,290   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon7_FmH2O10.xyz'
2025-06-01T03:28:14,291   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon8_FmH2O10.xyz'
2025-06-01T03:28:14,293   adding 'xcbm/MGCDB84_Dataset/Geometries/FmH2O10/20_Isomer10_mon9_FmH2O10.xyz'
2025-06-01T03:28:14,295   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/11_EA_10_G21EA.xyz'
2025-06-01T03:28:14,296   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/12_EA_10n_G21EA.xyz'
2025-06-01T03:28:14,298   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/13_EA_11_G21EA.xyz'
2025-06-01T03:28:14,299   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/14_EA_11n_G21EA.xyz'
2025-06-01T03:28:14,300   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/15_EA_12_G21EA.xyz'
2025-06-01T03:28:14,301   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/16_EA_12n_G21EA.xyz'
2025-06-01T03:28:14,302   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/17_EA_13_G21EA.xyz'
2025-06-01T03:28:14,303   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/18_EA_13n_G21EA.xyz'
2025-06-01T03:28:14,304   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/19_EA_14_G21EA.xyz'
2025-06-01T03:28:14,306   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/20_EA_14n_G21EA.xyz'
2025-06-01T03:28:14,307   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/21_EA_15_G21EA.xyz'
2025-06-01T03:28:14,308   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/22_EA_15n_G21EA.xyz'
2025-06-01T03:28:14,309   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/23_EA_16_G21EA.xyz'
2025-06-01T03:28:14,310   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/24_EA_16n_G21EA.xyz'
2025-06-01T03:28:14,311   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/25_EA_17_G21EA.xyz'
2025-06-01T03:28:14,313   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/26_EA_17n_G21EA.xyz'
2025-06-01T03:28:14,314   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/27_EA_18_G21EA.xyz'
2025-06-01T03:28:14,315   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/28_EA_18n_G21EA.xyz'
2025-06-01T03:28:14,316   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/29_EA_19_G21EA.xyz'
2025-06-01T03:28:14,317   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/30_EA_19n_G21EA.xyz'
2025-06-01T03:28:14,318   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/31_EA_20_G21EA.xyz'
2025-06-01T03:28:14,320   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/32_EA_20n_G21EA.xyz'
2025-06-01T03:28:14,321   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/33_EA_21_G21EA.xyz'
2025-06-01T03:28:14,322   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/34_EA_21n_G21EA.xyz'
2025-06-01T03:28:14,323   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/35_EA_22_G21EA.xyz'
2025-06-01T03:28:14,324   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/36_EA_22n_G21EA.xyz'
2025-06-01T03:28:14,325   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/37_EA_23_G21EA.xyz'
2025-06-01T03:28:14,326   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/38_EA_23n_G21EA.xyz'
2025-06-01T03:28:14,327   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/39_EA_24_G21EA.xyz'
2025-06-01T03:28:14,328   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/40_EA_24n_G21EA.xyz'
2025-06-01T03:28:14,329   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/41_EA_25_G21EA.xyz'
2025-06-01T03:28:14,330   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/42_EA_25n_G21EA.xyz'
2025-06-01T03:28:14,331   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/43_EA_8_G21EA.xyz'
2025-06-01T03:28:14,332   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/44_EA_8n_G21EA.xyz'
2025-06-01T03:28:14,333   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/45_EA_9_G21EA.xyz'
2025-06-01T03:28:14,335   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/46_EA_9n_G21EA.xyz'
2025-06-01T03:28:14,336   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/47_EA_c_G21EA.xyz'
2025-06-01T03:28:14,337   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/48_EA_c-_G21EA.xyz'
2025-06-01T03:28:14,338   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/49_EA_cl_G21EA.xyz'
2025-06-01T03:28:14,339   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/50_EA_cl-_G21EA.xyz'
2025-06-01T03:28:14,340   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/51_EA_f_G21EA.xyz'
2025-06-01T03:28:14,341   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/52_EA_f-_G21EA.xyz'
2025-06-01T03:28:14,342   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/53_EA_o_G21EA.xyz'
2025-06-01T03:28:14,343   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/54_EA_o-_G21EA.xyz'
2025-06-01T03:28:14,345   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/55_EA_p_G21EA.xyz'
2025-06-01T03:28:14,346   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/56_EA_p-_G21EA.xyz'
2025-06-01T03:28:14,347   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/57_EA_s_G21EA.xyz'
2025-06-01T03:28:14,348   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/58_EA_s-_G21EA.xyz'
2025-06-01T03:28:14,349   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/59_EA_si_G21EA.xyz'
2025-06-01T03:28:14,350   adding 'xcbm/MGCDB84_Dataset/Geometries/G21EA/60_EA_si-_G21EA.xyz'
2025-06-01T03:28:14,353   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/11_11_G21IP.xyz'
2025-06-01T03:28:14,354   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/12_12_G21IP.xyz'
2025-06-01T03:28:14,356   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/13_13_G21IP.xyz'
2025-06-01T03:28:14,357   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/14_137_G21IP.xyz'
2025-06-01T03:28:14,358   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/15_14_G21IP.xyz'
2025-06-01T03:28:14,359   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/16_18_G21IP.xyz'
2025-06-01T03:28:14,360   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/17_19_G21IP.xyz'
2025-06-01T03:28:14,361   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/18_20_G21IP.xyz'
2025-06-01T03:28:14,362   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/19_22_G21IP.xyz'
2025-06-01T03:28:14,364   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/20_25_G21IP.xyz'
2025-06-01T03:28:14,365   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/21_26_G21IP.xyz'
2025-06-01T03:28:14,366   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/22_30_G21IP.xyz'
2025-06-01T03:28:14,367   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/23_34_G21IP.xyz'
2025-06-01T03:28:14,368   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/24_37_G21IP.xyz'
2025-06-01T03:28:14,369   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/25_43_G21IP.xyz'
2025-06-01T03:28:14,371   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/26_44_G21IP.xyz'
2025-06-01T03:28:14,372   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/27_45_G21IP.xyz'
2025-06-01T03:28:14,373   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/28_48_G21IP.xyz'
2025-06-01T03:28:14,374   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/29_51_G21IP.xyz'
2025-06-01T03:28:14,375   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/30_8_G21IP.xyz'
2025-06-01T03:28:14,376   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/31_al_G21IP.xyz'
2025-06-01T03:28:14,377   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/32_al+_G21IP.xyz'
2025-06-01T03:28:14,378   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/33_b_G21IP.xyz'
2025-06-01T03:28:14,379   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/34_b+_G21IP.xyz'
2025-06-01T03:28:14,380   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/35_be_G21IP.xyz'
2025-06-01T03:28:14,381   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/36_be+_G21IP.xyz'
2025-06-01T03:28:14,382   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/37_c_G21IP.xyz'
2025-06-01T03:28:14,384   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/38_c+_G21IP.xyz'
2025-06-01T03:28:14,385   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/39_cl_G21IP.xyz'
2025-06-01T03:28:14,386   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/40_cl+_G21IP.xyz'
2025-06-01T03:28:14,387   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/41_f_G21IP.xyz'
2025-06-01T03:28:14,388   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/42_f+_G21IP.xyz'
2025-06-01T03:28:14,389   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/43_h_G21IP.xyz'
2025-06-01T03:28:14,391   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/44_IP_59_G21IP.xyz'
2025-06-01T03:28:14,392   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/45_IP_60_G21IP.xyz'
2025-06-01T03:28:14,393   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/46_IP_61_G21IP.xyz'
2025-06-01T03:28:14,394   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/47_IP_62_G21IP.xyz'
2025-06-01T03:28:14,395   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/48_IP_63_G21IP.xyz'
2025-06-01T03:28:14,396   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/49_IP_64_G21IP.xyz'
2025-06-01T03:28:14,397   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/50_IP_65_G21IP.xyz'
2025-06-01T03:28:14,398   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/51_IP_66_G21IP.xyz'
2025-06-01T03:28:14,400   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/52_IP_67_G21IP.xyz'
2025-06-01T03:28:14,401   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/53_IP_68_G21IP.xyz'
2025-06-01T03:28:14,402   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/54_IP_70_G21IP.xyz'
2025-06-01T03:28:14,403   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/55_IP_71_G21IP.xyz'
2025-06-01T03:28:14,404   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/56_IP_72_G21IP.xyz'
2025-06-01T03:28:14,405   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/57_IP_73_G21IP.xyz'
2025-06-01T03:28:14,406   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/58_IP_74_G21IP.xyz'
2025-06-01T03:28:14,407   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/59_IP_75_G21IP.xyz'
2025-06-01T03:28:14,409   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/60_IP_76_G21IP.xyz'
2025-06-01T03:28:14,410   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/61_IP_77_G21IP.xyz'
2025-06-01T03:28:14,411   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/62_IP_78_G21IP.xyz'
2025-06-01T03:28:14,412   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/63_IP_79_G21IP.xyz'
2025-06-01T03:28:14,413   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/64_IP_80_G21IP.xyz'
2025-06-01T03:28:14,414   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/65_IP_n65_G21IP.xyz'
2025-06-01T03:28:14,415   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/66_li_G21IP.xyz'
2025-06-01T03:28:14,417   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/67_li+_G21IP.xyz'
2025-06-01T03:28:14,418   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/68_mg_G21IP.xyz'
2025-06-01T03:28:14,419   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/69_mg+_G21IP.xyz'
2025-06-01T03:28:14,420   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/70_n_G21IP.xyz'
2025-06-01T03:28:14,421   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/71_n+_G21IP.xyz'
2025-06-01T03:28:14,422   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/72_na_G21IP.xyz'
2025-06-01T03:28:14,424   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/73_na+_G21IP.xyz'
2025-06-01T03:28:14,425   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/74_o_G21IP.xyz'
2025-06-01T03:28:14,427   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/75_o+_G21IP.xyz'
2025-06-01T03:28:14,428   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/76_p_G21IP.xyz'
2025-06-01T03:28:14,429   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/77_p+_G21IP.xyz'
2025-06-01T03:28:14,430   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/78_s_G21IP.xyz'
2025-06-01T03:28:14,431   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/79_s+_G21IP.xyz'
2025-06-01T03:28:14,432   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/80_si_G21IP.xyz'
2025-06-01T03:28:14,433   adding 'xcbm/MGCDB84_Dataset/Geometries/G21IP/81_si+_G21IP.xyz'
2025-06-01T03:28:14,435   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/11_boat-a_H2O16Rel5.xyz'
2025-06-01T03:28:14,436   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/12_boat-b_H2O16Rel5.xyz'
2025-06-01T03:28:14,437   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/13_anti-boat_H2O16Rel5.xyz'
2025-06-01T03:28:14,439   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/14_4444-a_H2O16Rel5.xyz'
2025-06-01T03:28:14,440   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O16Rel5/15_4444-b_H2O16Rel5.xyz'
2025-06-01T03:28:14,446   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_H2O20Bind10.xyz'
2025-06-01T03:28:14,447   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,448   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,449   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,450   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,451   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,452   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,454   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,455   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,456   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,457   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,458   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,460   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,461   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,462   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,463   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,464   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,465   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,466   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,468   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,469   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,470   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_H2O20Bind10.xyz'
2025-06-01T03:28:14,471   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,473   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,474   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,475   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,476   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,477   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,478   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,479   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,480   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,481   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,482   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,483   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,485   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,486   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,487   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,488   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,489   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,490   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,491   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,492   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,494   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_H2O20Bind10.xyz'
2025-06-01T03:28:14,495   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,496   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,497   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,498   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,499   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,500   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,502   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,503   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,504   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,505   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,506   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,507   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,508   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,510   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,511   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,512   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,513   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,514   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,516   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,517   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,518   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_H2O20Bind10.xyz'
2025-06-01T03:28:14,519   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,520   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,521   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,522   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,524   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,525   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,526   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,527   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,528   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,529   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,531   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,532   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,533   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,534   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,535   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,537   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,538   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,539   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,540   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,541   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,543   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_H2O20Bind10.xyz'
2025-06-01T03:28:14,544   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,545   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,546   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,547   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,548   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,550   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,551   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,552   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,553   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,554   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,555   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,556   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,558   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,559   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,560   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,561   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,562   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,563   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,564   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,565   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,567   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_H2O20Bind10.xyz'
2025-06-01T03:28:14,568   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,569   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,570   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,571   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,572   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,573   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,574   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,575   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,577   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,578   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,579   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,580   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,581   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,582   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,583   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,584   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,585   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,587   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,588   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,589   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,590   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_H2O20Bind10.xyz'
2025-06-01T03:28:14,591   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,592   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,594   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,595   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,596   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,597   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,598   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,599   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,600   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,602   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,603   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,604   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,605   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,606   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,607   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,608   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,609   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,610   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,611   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,612   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,614   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_H2O20Bind10.xyz'
2025-06-01T03:28:14,615   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,616   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,617   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,618   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,619   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,621   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,622   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,623   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,624   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,625   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,627   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,628   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,629   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,630   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,631   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,632   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,633   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,635   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,636   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,637   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,638   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_H2O20Bind10.xyz'
2025-06-01T03:28:14,640   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,641   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,642   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,643   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,644   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,646   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,647   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,648   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,649   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,650   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,651   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,653   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,654   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,655   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,656   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,657   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,658   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,660   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,661   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,662   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,663   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_H2O20Bind10.xyz'
2025-06-01T03:28:14,664   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,666   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,667   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,668   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,669   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,670   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,671   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,672   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,674   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,675   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,676   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,677   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,678   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,679   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,681   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,682   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,683   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,684   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,685   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,686   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,688   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/11_H2O_H2O20Bind4.xyz'
2025-06-01T03:28:14,689   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/12_H2O20_H2O20Bind4.xyz'
2025-06-01T03:28:14,691   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/13_H2O20es_H2O20Bind4.xyz'
2025-06-01T03:28:14,692   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/14_H2O20fc_H2O20Bind4.xyz'
2025-06-01T03:28:14,693   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Bind4/15_H2O20fs_H2O20Bind4.xyz'
2025-06-01T03:28:14,698   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_H2O20Bind10.xyz'
2025-06-01T03:28:14,700   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,701   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,702   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,703   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,704   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,705   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,706   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,707   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,708   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,709   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,710   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,711   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,713   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,714   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,715   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,716   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,717   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,718   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,719   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,721   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/11_isomer1_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,722   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_H2O20Bind10.xyz'
2025-06-01T03:28:14,723   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,724   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,726   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,727   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,728   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,729   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,730   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,732   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,733   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,734   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,735   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,737   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,738   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,739   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,740   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,741   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,742   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,743   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,744   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,745   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/12_isomer2_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,746   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_H2O20Bind10.xyz'
2025-06-01T03:28:14,748   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,749   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,750   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,751   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,752   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,753   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,754   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,755   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,757   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,758   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,759   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,760   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,762   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,763   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,764   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,765   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,766   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,767   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,768   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,770   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/13_isomer3_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,771   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_H2O20Bind10.xyz'
2025-06-01T03:28:14,772   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,773   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,775   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,776   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,777   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,778   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,779   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,780   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,781   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,782   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,783   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,785   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,786   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,787   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,788   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,789   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,790   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,791   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,792   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,793   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/14_isomer4_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,794   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_H2O20Bind10.xyz'
2025-06-01T03:28:14,796   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,797   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,798   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,799   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,800   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,801   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,803   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,804   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,805   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,806   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,807   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,808   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,809   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,811   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,812   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,813   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,814   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,815   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,816   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,818   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/15_isomer5_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,819   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_H2O20Bind10.xyz'
2025-06-01T03:28:14,820   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,821   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,822   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,823   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,825   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,826   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,827   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,828   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,829   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,830   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,831   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,832   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,833   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,834   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,835   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,836   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,837   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,839   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,840   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,841   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/16_isomer6_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,842   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_H2O20Bind10.xyz'
2025-06-01T03:28:14,844   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,845   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,846   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,847   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,848   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,849   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,850   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,852   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,853   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,854   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,855   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,856   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,857   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,859   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,860   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,861   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,862   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,863   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,864   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,865   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/17_isomer7_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,867   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_H2O20Bind10.xyz'
2025-06-01T03:28:14,868   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,869   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,870   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,871   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,872   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,874   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,875   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,876   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,877   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,878   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,879   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,881   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,882   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,883   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,884   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,885   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,886   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,888   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,889   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,890   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/18_isomer8_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,891   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_H2O20Bind10.xyz'
2025-06-01T03:28:14,893   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,894   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,895   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,896   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,897   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,899   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,900   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,901   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,903   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,904   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,905   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,906   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,908   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,909   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,910   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,911   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,912   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,913   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,914   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,915   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/19_isomer9_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,916   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_H2O20Bind10.xyz'
2025-06-01T03:28:14,918   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon10_H2O20Bind10.xyz'
2025-06-01T03:28:14,919   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon11_H2O20Bind10.xyz'
2025-06-01T03:28:14,920   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon12_H2O20Bind10.xyz'
2025-06-01T03:28:14,921   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon13_H2O20Bind10.xyz'
2025-06-01T03:28:14,922   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon14_H2O20Bind10.xyz'
2025-06-01T03:28:14,923   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon15_H2O20Bind10.xyz'
2025-06-01T03:28:14,924   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon16_H2O20Bind10.xyz'
2025-06-01T03:28:14,925   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon17_H2O20Bind10.xyz'
2025-06-01T03:28:14,927   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon18_H2O20Bind10.xyz'
2025-06-01T03:28:14,928   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon19_H2O20Bind10.xyz'
2025-06-01T03:28:14,929   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon1_H2O20Bind10.xyz'
2025-06-01T03:28:14,930   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon20_H2O20Bind10.xyz'
2025-06-01T03:28:14,931   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon2_H2O20Bind10.xyz'
2025-06-01T03:28:14,932   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon3_H2O20Bind10.xyz'
2025-06-01T03:28:14,934   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon4_H2O20Bind10.xyz'
2025-06-01T03:28:14,935   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon5_H2O20Bind10.xyz'
2025-06-01T03:28:14,936   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon6_H2O20Bind10.xyz'
2025-06-01T03:28:14,937   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon7_H2O20Bind10.xyz'
2025-06-01T03:28:14,938   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon8_H2O20Bind10.xyz'
2025-06-01T03:28:14,939   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel10/20_isomer10_mon9_H2O20Bind10.xyz'
2025-06-01T03:28:14,941   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/12_H2O20_H2O20Bind4.xyz'
2025-06-01T03:28:14,943   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/13_H2O20es_H2O20Bind4.xyz'
2025-06-01T03:28:14,944   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/14_H2O20fc_H2O20Bind4.xyz'
2025-06-01T03:28:14,945   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O20Rel4/15_H2O20fs_H2O20Bind4.xyz'
2025-06-01T03:28:14,948   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_H2O6Bind8.xyz'
2025-06-01T03:28:14,949   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,950   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,952   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,953   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,954   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,955   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/11_prism_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,957   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_H2O6Bind8.xyz'
2025-06-01T03:28:14,958   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,959   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,960   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,961   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,962   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,963   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/12_cage_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,964   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_H2O6Bind8.xyz'
2025-06-01T03:28:14,965   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,967   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,968   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,969   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,970   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,971   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/13_book-1_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,972   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_H2O6Bind8.xyz'
2025-06-01T03:28:14,973   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,975   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,976   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,977   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,978   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,979   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/14_book-2_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,980   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_H2O6Bind8.xyz'
2025-06-01T03:28:14,982   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,983   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,984   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,985   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,986   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,987   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/15_cyclic-chair_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,988   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_H2O6Bind8.xyz'
2025-06-01T03:28:14,990   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,991   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:14,992   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:14,993   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:14,994   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:14,995   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/16_bag_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:14,997   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_H2O6Bind8.xyz'
2025-06-01T03:28:14,998   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:14,999   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:15,000   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:15,001   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:15,002   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:15,004   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/17_cyclic-boat-1_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:15,005   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_H2O6Bind8.xyz'
2025-06-01T03:28:15,006   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon1_H2O6Bind8.xyz'
2025-06-01T03:28:15,007   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon2_H2O6Bind8.xyz'
2025-06-01T03:28:15,008   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon3_H2O6Bind8.xyz'
2025-06-01T03:28:15,009   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon4_H2O6Bind8.xyz'
2025-06-01T03:28:15,010   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon5_H2O6Bind8.xyz'
2025-06-01T03:28:15,012   adding 'xcbm/MGCDB84_Dataset/Geometries/H2O6Bind8/18_cyclic-boat-2_mon6_H2O6Bind8.xyz'
2025-06-01T03:28:15,015   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/101_acetaldehyde_W4-11.xyz'
2025-06-01T03:28:15,016   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/104_alcl_W4-11.xyz'
2025-06-01T03:28:15,017   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/105_al_W4-11.xyz'
2025-06-01T03:28:15,018   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/107_alf_W4-11.xyz'
2025-06-01T03:28:15,019   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/109_alh_W4-11.xyz'
2025-06-01T03:28:15,021   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/111_b2_W4-11.xyz'
2025-06-01T03:28:15,022   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/113_b_W4-11.xyz'
2025-06-01T03:28:15,023   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/119_bf_W4-11.xyz'
2025-06-01T03:28:15,024   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/121_bh_W4-11.xyz'
2025-06-01T03:28:15,025   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/123_bn3pi_W4-11.xyz'
2025-06-01T03:28:15,026   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/126_c2h2_W4-11.xyz'
2025-06-01T03:28:15,027   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/127_c2h3f_W4-11.xyz'
2025-06-01T03:28:15,028   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/128_c2h4_W4-11.xyz'
2025-06-01T03:28:15,030   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/130_c2h6_W4-11.xyz'
2025-06-01T03:28:15,031   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/131_cch_W4-11.xyz'
2025-06-01T03:28:15,032   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/132_ccl2_W4-11.xyz'
2025-06-01T03:28:15,033   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/133_c_W4-11.xyz'
2025-06-01T03:28:15,034   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/134_cf2_W4-11.xyz'
2025-06-01T03:28:15,035   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/136_cf_W4-11.xyz'
2025-06-01T03:28:15,036   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/137_ch2c_W4-11.xyz'
2025-06-01T03:28:15,038   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/138_ch2ch_W4-11.xyz'
2025-06-01T03:28:15,039   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/143_ch2-trip_W4-11.xyz'
2025-06-01T03:28:15,040   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/144_ch3_W4-11.xyz'
2025-06-01T03:28:15,041   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/145_ch3f_W4-11.xyz'
2025-06-01T03:28:15,042   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/148_ch4_W4-11.xyz'
2025-06-01T03:28:15,043   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/150_ch_W4-11.xyz'
2025-06-01T03:28:15,045   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/153_cl2_W4-11.xyz'
2025-06-01T03:28:15,046   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/154_cl2o_W4-11.xyz'
2025-06-01T03:28:15,047   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/155_clcn_W4-11.xyz'
2025-06-01T03:28:15,048   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/156_cl_W4-11.xyz'
2025-06-01T03:28:15,049   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/157_clf_W4-11.xyz'
2025-06-01T03:28:15,050   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/158_clo_W4-11.xyz'
2025-06-01T03:28:15,051   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/161_cn_W4-11.xyz'
2025-06-01T03:28:15,052   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/162_co2_W4-11.xyz'
2025-06-01T03:28:15,054   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/163_co_W4-11.xyz'
2025-06-01T03:28:15,055   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/164_cs2_W4-11.xyz'
2025-06-01T03:28:15,056   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/165_cs_W4-11.xyz'
2025-06-01T03:28:15,057   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/168_f2co_W4-11.xyz'
2025-06-01T03:28:15,058   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/169_f2_W4-11.xyz'
2025-06-01T03:28:15,059   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/170_f2o_W4-11.xyz'
2025-06-01T03:28:15,060   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/171_fccf_W4-11.xyz'
2025-06-01T03:28:15,061   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/172_f_W4-11.xyz'
2025-06-01T03:28:15,062   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/173_fo2_W4-11.xyz'
2025-06-01T03:28:15,063   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/174_foof_W4-11.xyz'
2025-06-01T03:28:15,064   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/175_formic_W4-11.xyz'
2025-06-01T03:28:15,066   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/176_glyoxal_W4-11.xyz'
2025-06-01T03:28:15,067   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/178_h2co_W4-11.xyz'
2025-06-01T03:28:15,068   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/179_h2_W4-11.xyz'
2025-06-01T03:28:15,069   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/180_h2o_W4-11.xyz'
2025-06-01T03:28:15,070   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/181_h2s_W4-11.xyz'
2025-06-01T03:28:15,071   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/182_hccf_W4-11.xyz'
2025-06-01T03:28:15,072   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/183_hcl_W4-11.xyz'
2025-06-01T03:28:15,073   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/184_hcn_W4-11.xyz'
2025-06-01T03:28:15,075   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/187_hco_W4-11.xyz'
2025-06-01T03:28:15,076   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/188_hcof_W4-11.xyz'
2025-06-01T03:28:15,077   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/189_h_W4-11.xyz'
2025-06-01T03:28:15,078   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/190_hf_W4-11.xyz'
2025-06-01T03:28:15,079   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/192_hnco_W4-11.xyz'
2025-06-01T03:28:15,080   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/194_hno_W4-11.xyz'
2025-06-01T03:28:15,081   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/195_hocl_W4-11.xyz'
2025-06-01T03:28:15,083   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/197_hof_W4-11.xyz'
2025-06-01T03:28:15,084   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/199_hoo_W4-11.xyz'
2025-06-01T03:28:15,085   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/200_hooh_W4-11.xyz'
2025-06-01T03:28:15,086   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/201_hs_W4-11.xyz'
2025-06-01T03:28:15,087   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/202_ketene_W4-11.xyz'
2025-06-01T03:28:15,088   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/203_methanol_W4-11.xyz'
2025-06-01T03:28:15,089   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/204_n2_W4-11.xyz'
2025-06-01T03:28:15,091   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/207_n2o_W4-11.xyz'
2025-06-01T03:28:15,092   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/209_n_W4-11.xyz'
2025-06-01T03:28:15,093   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/211_nh2_W4-11.xyz'
2025-06-01T03:28:15,094   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/213_nh_W4-11.xyz'
2025-06-01T03:28:15,095   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/214_no2_W4-11.xyz'
2025-06-01T03:28:15,096   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/215_no_W4-11.xyz'
2025-06-01T03:28:15,097   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/216_o2_W4-11.xyz'
2025-06-01T03:28:15,098   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/217_o3_W4-11.xyz'
2025-06-01T03:28:15,100   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/218_oclo_W4-11.xyz'
2025-06-01T03:28:15,101   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/219_o_W4-11.xyz'
2025-06-01T03:28:15,102   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/220_ocs_W4-11.xyz'
2025-06-01T03:28:15,103   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/221_of_W4-11.xyz'
2025-06-01T03:28:15,104   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/222_oh_W4-11.xyz'
2025-06-01T03:28:15,105   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/223_oxirane_W4-11.xyz'
2025-06-01T03:28:15,106   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/224_oxirene_W4-11.xyz'
2025-06-01T03:28:15,107   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/230_propene_W4-11.xyz'
2025-06-01T03:28:15,108   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/231_propyne_W4-11.xyz'
2025-06-01T03:28:15,109   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/232_s2_W4-11.xyz'
2025-06-01T03:28:15,110   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/233_s2o_W4-11.xyz'
2025-06-01T03:28:15,111   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/234_s3_W4-11.xyz'
2025-06-01T03:28:15,113   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/235_s4-c2v_W4-11.xyz'
2025-06-01T03:28:15,114   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/236_s_W4-11.xyz'
2025-06-01T03:28:15,115   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/238_si_W4-11.xyz'
2025-06-01T03:28:15,116   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/240_sif_W4-11.xyz'
2025-06-01T03:28:15,117   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/243_sih_W4-11.xyz'
2025-06-01T03:28:15,118   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/244_sio_W4-11.xyz'
2025-06-01T03:28:15,119   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/245_so2_W4-11.xyz'
2025-06-01T03:28:15,120   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/246_so3_W4-11.xyz'
2025-06-01T03:28:15,121   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/247_so_W4-11.xyz'
2025-06-01T03:28:15,122   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/248_ssh_W4-11.xyz'
2025-06-01T03:28:15,123   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/249_t-hcoh_W4-11.xyz'
2025-06-01T03:28:15,124   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/250_t-hono_W4-11.xyz'
2025-06-01T03:28:15,126   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/251_t-hooo_W4-11.xyz'
2025-06-01T03:28:15,127   adding 'xcbm/MGCDB84_Dataset/Geometries/HAT707/252_t-n2h2_W4-11.xyz'
2025-06-01T03:28:15,129   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_dim_HB15.xyz'
2025-06-01T03:28:15,130   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monA_HB15.xyz'
2025-06-01T03:28:15,131   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3361_01acetatemethanol100_monB_HB15.xyz'
2025-06-01T03:28:15,133   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_dim_HB15.xyz'
2025-06-01T03:28:15,134   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monA_HB15.xyz'
2025-06-01T03:28:15,135   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3369_02acetatewater100_monB_HB15.xyz'
2025-06-01T03:28:15,136   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_dim_HB15.xyz'
2025-06-01T03:28:15,137   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monA_HB15.xyz'
2025-06-01T03:28:15,139   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3377_03acetatemethylamine100_monB_HB15.xyz'
2025-06-01T03:28:15,140   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_dim_HB15.xyz'
2025-06-01T03:28:15,141   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monA_HB15.xyz'
2025-06-01T03:28:15,142   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3385_04methylammoniumformaldehyde100_monB_HB15.xyz'
2025-06-01T03:28:15,143   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_dim_HB15.xyz'
2025-06-01T03:28:15,145   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monA_HB15.xyz'
2025-06-01T03:28:15,146   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3393_05methylammoniummethylamine100_monB_HB15.xyz'
2025-06-01T03:28:15,147   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_dim_HB15.xyz'
2025-06-01T03:28:15,148   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monA_HB15.xyz'
2025-06-01T03:28:15,149   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3401_06methylammoniummethanol100_monB_HB15.xyz'
2025-06-01T03:28:15,151   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_dim_HB15.xyz'
2025-06-01T03:28:15,152   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monA_HB15.xyz'
2025-06-01T03:28:15,153   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3409_07methylammoniumwater100_monB_HB15.xyz'
2025-06-01T03:28:15,154   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_dim_HB15.xyz'
2025-06-01T03:28:15,155   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monA_HB15.xyz'
2025-06-01T03:28:15,156   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3417_08guanidiniumformaldehyde100_monB_HB15.xyz'
2025-06-01T03:28:15,157   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_dim_HB15.xyz'
2025-06-01T03:28:15,159   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monA_HB15.xyz'
2025-06-01T03:28:15,160   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3425_09guanidiniummethylamine100_monB_HB15.xyz'
2025-06-01T03:28:15,161   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_dim_HB15.xyz'
2025-06-01T03:28:15,162   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monA_HB15.xyz'
2025-06-01T03:28:15,163   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3433_10guanidiniummethanol100_monB_HB15.xyz'
2025-06-01T03:28:15,165   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_dim_HB15.xyz'
2025-06-01T03:28:15,166   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monA_HB15.xyz'
2025-06-01T03:28:15,167   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3441_11guanidiniumwater100_monB_HB15.xyz'
2025-06-01T03:28:15,168   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_dim_HB15.xyz'
2025-06-01T03:28:15,169   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monA_HB15.xyz'
2025-06-01T03:28:15,170   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3449_12imidazoliumformaldehyde100_monB_HB15.xyz'
2025-06-01T03:28:15,171   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_dim_HB15.xyz'
2025-06-01T03:28:15,173   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monA_HB15.xyz'
2025-06-01T03:28:15,174   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3457_13imidazoliummethylamine100_monB_HB15.xyz'
2025-06-01T03:28:15,175   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_dim_HB15.xyz'
2025-06-01T03:28:15,176   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monA_HB15.xyz'
2025-06-01T03:28:15,177   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3465_14imidazoliummethanol100_monB_HB15.xyz'
2025-06-01T03:28:15,179   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_dim_HB15.xyz'
2025-06-01T03:28:15,180   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monA_HB15.xyz'
2025-06-01T03:28:15,181   adding 'xcbm/MGCDB84_Dataset/Geometries/HB15/3473_15imidazoliumwater100_monB_HB15.xyz'
2025-06-01T03:28:15,184   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/11_ClHNH3_HB49.xyz'
2025-06-01T03:28:15,185   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/12_CNH2O_HB49.xyz'
2025-06-01T03:28:15,186   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/13_CN_HB49.xyz'
2025-06-01T03:28:15,187   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/14_COHF_HB49.xyz'
2025-06-01T03:28:15,188   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/15_CO_HB49.xyz'
2025-06-01T03:28:15,190   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/16_FHNH3_HB49.xyz'
2025-06-01T03:28:15,191   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/17_H2OH2O_HB49.xyz'
2025-06-01T03:28:15,192   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/18_H2ONH3_HB49.xyz'
2025-06-01T03:28:15,193   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/19_H2O_HB49.xyz'
2025-06-01T03:28:15,194   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/20_H3OH2O_HB49.xyz'
2025-06-01T03:28:15,195   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/21_H3O_HB49.xyz'
2025-06-01T03:28:15,196   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/22_HCCH2O_HB49.xyz'
2025-06-01T03:28:15,197   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/23_HCC_HB49.xyz'
2025-06-01T03:28:15,198   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/24_HCLHCL_HB49.xyz'
2025-06-01T03:28:15,199   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/25_HCL_HB49.xyz'
2025-06-01T03:28:15,200   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/26_HCN_HB49.xyz'
2025-06-01T03:28:15,202   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/27_HFHF_HB49.xyz'
2025-06-01T03:28:15,203   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/28_HFH2O_HB49.xyz'
2025-06-01T03:28:15,204   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/29_HFHCN_HB49.xyz'
2025-06-01T03:28:15,205   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/30_HF_HB49.xyz'
2025-06-01T03:28:15,206   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/31_NH3_HB49.xyz'
2025-06-01T03:28:15,207   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/32_NH3NH3_HB49.xyz'
2025-06-01T03:28:15,208   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/33_NH4H2O_HB49.xyz'
2025-06-01T03:28:15,209   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/34_NH4_HB49.xyz'
2025-06-01T03:28:15,210   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/35_OCHF_HB49.xyz'
2025-06-01T03:28:15,212   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/36_OHH2O_HB49.xyz'
2025-06-01T03:28:15,213   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/37_OH_HB49.xyz'
2025-06-01T03:28:15,214   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/38_Ac-_HB49.xyz'
2025-06-01T03:28:15,215   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/39_Ac-H2O_HB49.xyz'
2025-06-01T03:28:15,216   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/40_Ac-MeNH2_HB49.xyz'
2025-06-01T03:28:15,217   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/41_Ac-MeOH_HB49.xyz'
2025-06-01T03:28:15,218   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/42_AcNH2_HB49.xyz'
2025-06-01T03:28:15,220   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/43_AcNH2AcNH2_HB49.xyz'
2025-06-01T03:28:15,221   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/44_AcOH_HB49.xyz'
2025-06-01T03:28:15,222   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/45_AcOHAcOH_HB49.xyz'
2025-06-01T03:28:15,223   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/46_EtAc_HB49.xyz'
2025-06-01T03:28:15,224   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/47_EtAcEtAc_HB49.xyz'
2025-06-01T03:28:15,225   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/48_Formald_HB49.xyz'
2025-06-01T03:28:15,227   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/49_FormaldFormald_HB49.xyz'
2025-06-01T03:28:15,228   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/50_Guand_HB49.xyz'
2025-06-01T03:28:15,229   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/51_GuandFormald_HB49.xyz'
2025-06-01T03:28:15,230   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/52_GuandH2O_HB49.xyz'
2025-06-01T03:28:15,231   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/53_GuandMeNH2_HB49.xyz'
2025-06-01T03:28:15,233   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/54_GuandMeOH_HB49.xyz'
2025-06-01T03:28:15,234   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/55_H2OMeNH2_HB49.xyz'
2025-06-01T03:28:15,235   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/56_H2OMeOH_HB49.xyz'
2025-06-01T03:28:15,236   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/57_H2OPeptide_HB49.xyz'
2025-06-01T03:28:15,237   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/58_Imd_HB49.xyz'
2025-06-01T03:28:15,239   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/59_ImdFormald_HB49.xyz'
2025-06-01T03:28:15,240   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/60_ImdH2O_HB49.xyz'
2025-06-01T03:28:15,241   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/61_ImdMeNH2_HB49.xyz'
2025-06-01T03:28:15,242   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/62_ImdMeOH_HB49.xyz'
2025-06-01T03:28:15,243   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/63_MeNH2_HB49.xyz'
2025-06-01T03:28:15,244   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/64_MeNH2H2O_HB49.xyz'
2025-06-01T03:28:15,245   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/65_MeNH2MeNH2_HB49.xyz'
2025-06-01T03:28:15,246   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/66_MeNH2MeOH_HB49.xyz'
2025-06-01T03:28:15,247   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/67_MeNH2Peptide_HB49.xyz'
2025-06-01T03:28:15,248   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/68_MeNH3_HB49.xyz'
2025-06-01T03:28:15,250   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/69_MeNH3Formald_HB49.xyz'
2025-06-01T03:28:15,251   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/70_MeNH3H2O_HB49.xyz'
2025-06-01T03:28:15,252   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/71_MeNH3MeNH2_HB49.xyz'
2025-06-01T03:28:15,253   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/72_MeNH3MeOH_HB49.xyz'
2025-06-01T03:28:15,254   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/73_MeOH_HB49.xyz'
2025-06-01T03:28:15,255   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/74_MeOHH2O_HB49.xyz'
2025-06-01T03:28:15,256   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/75_MeOHMeNH2_HB49.xyz'
2025-06-01T03:28:15,257   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/76_MeOHMeOH_HB49.xyz'
2025-06-01T03:28:15,258   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/77_MeOHPeptide_HB49.xyz'
2025-06-01T03:28:15,259   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/78_Peptide_HB49.xyz'
2025-06-01T03:28:15,261   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/79_PeptideH2O_HB49.xyz'
2025-06-01T03:28:15,262   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/80_PeptideMeNH2_HB49.xyz'
2025-06-01T03:28:15,263   adding 'xcbm/MGCDB84_Dataset/Geometries/HB49/81_PeptideMeOH_HB49.xyz'
2025-06-01T03:28:15,265   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/11_NH2Br_HNBrBDE18.xyz'
2025-06-01T03:28:15,266   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/12_NH2rad_HNBrBDE18.xyz'
2025-06-01T03:28:15,267   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/13_NH3Br+_HNBrBDE18.xyz'
2025-06-01T03:28:15,269   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/14_NH3rad+_HNBrBDE18.xyz'
2025-06-01T03:28:15,270   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/15_MeNHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,271   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/16_MeNHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,272   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/17_MeNH2Br+_HNBrBDE18.xyz'
2025-06-01T03:28:15,273   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/18_MeNH2rad+_HNBrBDE18.xyz'
2025-06-01T03:28:15,274   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/19_Me2NBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,276   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/20_Me2Nrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,277   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/21_Me2NHBr+_HNBrBDE18.xyz'
2025-06-01T03:28:15,278   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/22_Me2NHrad+_HNBrBDE18.xyz'
2025-06-01T03:28:15,279   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/23_F3CNHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,280   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/24_F3CNHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,282   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/25_N-BrImidazole_HNBrBDE18.xyz'
2025-06-01T03:28:15,283   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/26_ImidazoleNrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,284   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/27_N-BrPyrrole_HNBrBDE18.xyz'
2025-06-01T03:28:15,285   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/28_PyrroleNrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,286   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/29_HCONHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,287   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/30_HCONHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,289   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/31_MeCONHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,290   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/32_MeCONHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,291   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/33_FCONHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,292   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/34_FCONHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,293   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/35_NCCONHBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,294   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/36_NCCONHrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,295   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/37_HCONMeBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,296   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/38_HCONMerad_HNBrBDE18.xyz'
2025-06-01T03:28:15,298   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/39_N-BrUrea_HNBrBDE18.xyz'
2025-06-01T03:28:15,299   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/40_UreaNrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,300   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/41_CHO2NBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,301   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/42_CHO2Nrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,302   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/43_H2C=NBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,303   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/44_H2C=Nrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,304   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/45_MeCH=NBr_HNBrBDE18.xyz'
2025-06-01T03:28:15,305   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/46_MeCH=Nrad_HNBrBDE18.xyz'
2025-06-01T03:28:15,306   adding 'xcbm/MGCDB84_Dataset/Geometries/HNBrBDE18/47_Br_HNBrBDE18.xyz'
2025-06-01T03:28:15,309   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_dim_HSG.xyz'
2025-06-01T03:28:15,310   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monA_HSG.xyz'
2025-06-01T03:28:15,311   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/11_ala29-big_monB_HSG.xyz'
2025-06-01T03:28:15,312   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_dim_HSG.xyz'
2025-06-01T03:28:15,313   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monA_HSG.xyz'
2025-06-01T03:28:15,314   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/12_ala128-small_monB_HSG.xyz'
2025-06-01T03:28:15,316   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_dim_HSG.xyz'
2025-06-01T03:28:15,317   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monA_HSG.xyz'
2025-06-01T03:28:15,318   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/13_arg8_monB_HSG.xyz'
2025-06-01T03:28:15,319   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_dim_HSG.xyz'
2025-06-01T03:28:15,321   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monA_HSG.xyz'
2025-06-01T03:28:15,322   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/14_ash26-asp125_monB_HSG.xyz'
2025-06-01T03:28:15,323   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_dim_HSG.xyz'
2025-06-01T03:28:15,325   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monA_HSG.xyz'
2025-06-01T03:28:15,326   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/15_asp129-big_monB_HSG.xyz'
2025-06-01T03:28:15,328   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_dim_HSG.xyz'
2025-06-01T03:28:15,329   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monA_HSG.xyz'
2025-06-01T03:28:15,331   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/16_asp130_monB_HSG.xyz'
2025-06-01T03:28:15,332   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_dim_HSG.xyz'
2025-06-01T03:28:15,333   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monA_HSG.xyz'
2025-06-01T03:28:15,334   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/17_gly28-big_monB_HSG.xyz'
2025-06-01T03:28:15,336   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_dim_HSG.xyz'
2025-06-01T03:28:15,337   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monA_HSG.xyz'
2025-06-01T03:28:15,338   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/18_gly50-ring-big_monB_HSG.xyz'
2025-06-01T03:28:15,339   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_dim_HSG.xyz'
2025-06-01T03:28:15,340   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monA_HSG.xyz'
2025-06-01T03:28:15,341   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/19_gly50-v1_monB_HSG.xyz'
2025-06-01T03:28:15,342   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_dim_HSG.xyz'
2025-06-01T03:28:15,344   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monA_HSG.xyz'
2025-06-01T03:28:15,345   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/20_gly127_monB_HSG.xyz'
2025-06-01T03:28:15,346   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_dim_HSG.xyz'
2025-06-01T03:28:15,347   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monA_HSG.xyz'
2025-06-01T03:28:15,348   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/21_gly148_monB_HSG.xyz'
2025-06-01T03:28:15,349   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_dim_HSG.xyz'
2025-06-01T03:28:15,350   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monA_HSG.xyz'
2025-06-01T03:28:15,351   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/22_ile48-big_monB_HSG.xyz'
2025-06-01T03:28:15,353   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_dim_HSG.xyz'
2025-06-01T03:28:15,354   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monA_HSG.xyz'
2025-06-01T03:28:15,355   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/23_ile147_monB_HSG.xyz'
2025-06-01T03:28:15,356   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_dim_HSG.xyz'
2025-06-01T03:28:15,357   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monA_HSG.xyz'
2025-06-01T03:28:15,358   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/24_ile150-big_monB_HSG.xyz'
2025-06-01T03:28:15,359   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_dim_HSG.xyz'
2025-06-01T03:28:15,361   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monA_HSG.xyz'
2025-06-01T03:28:15,362   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/25_ile184_monB_HSG.xyz'
2025-06-01T03:28:15,363   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_dim_HSG.xyz'
2025-06-01T03:28:15,365   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monA_HSG.xyz'
2025-06-01T03:28:15,366   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/26_leu23-big_monB_HSG.xyz'
2025-06-01T03:28:15,367   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_dim_HSG.xyz'
2025-06-01T03:28:15,368   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monA_HSG.xyz'
2025-06-01T03:28:15,370   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/27_pro181_monB_HSG.xyz'
2025-06-01T03:28:15,371   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_dim_HSG.xyz'
2025-06-01T03:28:15,372   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monA_HSG.xyz'
2025-06-01T03:28:15,374   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/28_val33-big_monB_HSG.xyz'
2025-06-01T03:28:15,375   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_dim_HSG.xyz'
2025-06-01T03:28:15,376   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monA_HSG.xyz'
2025-06-01T03:28:15,377   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/29_val83_monB_HSG.xyz'
2025-06-01T03:28:15,379   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_dim_HSG.xyz'
2025-06-01T03:28:15,380   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monA_HSG.xyz'
2025-06-01T03:28:15,381   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/30_val132_monB_HSG.xyz'
2025-06-01T03:28:15,382   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_dim_HSG.xyz'
2025-06-01T03:28:15,383   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monA_HSG.xyz'
2025-06-01T03:28:15,384   adding 'xcbm/MGCDB84_Dataset/Geometries/HSG/31_wat200_monB_HSG.xyz'
2025-06-01T03:28:15,387   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/14_C2H5_upper_BH76.xyz'
2025-06-01T03:28:15,388   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/15_C2H6_BH76.xyz'
2025-06-01T03:28:15,389   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/18_C5H8_BH76.xyz'
2025-06-01T03:28:15,390   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/24_CH3_upper_BH76.xyz'
2025-06-01T03:28:15,391   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/25_CH4_BH76.xyz'
2025-06-01T03:28:15,392   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/31_Cl_upper_BH76.xyz'
2025-06-01T03:28:15,393   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/41_F_upper_BH76.xyz'
2025-06-01T03:28:15,394   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/42_H2_BH76.xyz'
2025-06-01T03:28:15,395   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/43_H2O_BH76.xyz'
2025-06-01T03:28:15,396   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/44_H2S_BH76.xyz'
2025-06-01T03:28:15,398   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/47_HCl_upper_BH76.xyz'
2025-06-01T03:28:15,399   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/56_HF_upper_BH76.xyz'
2025-06-01T03:28:15,400   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/64_HS_BH76.xyz'
2025-06-01T03:28:15,401   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/65_H_upper_BH76.xyz'
2025-06-01T03:28:15,402   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/69_NH_BH76.xyz'
2025-06-01T03:28:15,403   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/70_NH2_BH76.xyz'
2025-06-01T03:28:15,405   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/71_NH3_BH76.xyz'
2025-06-01T03:28:15,406   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/72_O_BH76.xyz'
2025-06-01T03:28:15,407   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/75_OH_upper_BH76.xyz'
2025-06-01T03:28:15,408   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/76_PH2_BH76.xyz'
2025-06-01T03:28:15,409   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/77_PH3_BH76.xyz'
2025-06-01T03:28:15,411   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/78_RKT01_BH76.xyz'
2025-06-01T03:28:15,412   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/79_RKT02_BH76.xyz'
2025-06-01T03:28:15,413   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/80_RKT03_BH76.xyz'
2025-06-01T03:28:15,415   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/81_RKT04_BH76.xyz'
2025-06-01T03:28:15,416   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/82_RKT06_BH76.xyz'
2025-06-01T03:28:15,417   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/83_RKT07_BH76.xyz'
2025-06-01T03:28:15,418   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/84_RKT08_BH76.xyz'
2025-06-01T03:28:15,419   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/85_RKT09_BH76.xyz'
2025-06-01T03:28:15,421   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/86_RKT10_BH76.xyz'
2025-06-01T03:28:15,422   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/87_RKT11_BH76.xyz'
2025-06-01T03:28:15,423   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/88_RKT12_BH76.xyz'
2025-06-01T03:28:15,424   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/89_RKT14_BH76.xyz'
2025-06-01T03:28:15,425   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/90_RKT16_BH76.xyz'
2025-06-01T03:28:15,426   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/91_RKT17_BH76.xyz'
2025-06-01T03:28:15,427   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/92_RKT18_BH76.xyz'
2025-06-01T03:28:15,429   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/93_RKT19_BH76.xyz'
2025-06-01T03:28:15,430   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/94_RKT20_BH76.xyz'
2025-06-01T03:28:15,431   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/95_RKT21_BH76.xyz'
2025-06-01T03:28:15,432   adding 'xcbm/MGCDB84_Dataset/Geometries/HTBH38/96_RKT22_BH76.xyz'
2025-06-01T03:28:15,435   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_dim_HW30.xyz'
2025-06-01T03:28:15,436   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monA_HW30.xyz'
2025-06-01T03:28:15,438   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/11_CH4_H2O_OH__C_monB_HW30.xyz'
2025-06-01T03:28:15,439   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,440   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,441   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/12_CH4_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,442   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,443   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,445   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/13_C2H6_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,446   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_dim_HW30.xyz'
2025-06-01T03:28:15,447   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monA_HW30.xyz'
2025-06-01T03:28:15,448   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/14_C2H6_H2O_OH__C_monB_HW30.xyz'
2025-06-01T03:28:15,449   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,450   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,451   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/15_C2H2_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,452   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_dim_HW30.xyz'
2025-06-01T03:28:15,453   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monA_HW30.xyz'
2025-06-01T03:28:15,454   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/16_C2H2_H2O_CH__Op_monB_HW30.xyz'
2025-06-01T03:28:15,455   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,457   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,458   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/17_C2H2_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,459   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_dim_HW30.xyz'
2025-06-01T03:28:15,460   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monA_HW30.xyz'
2025-06-01T03:28:15,461   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/18_C2H2_H2O_OH2__pi_monB_HW30.xyz'
2025-06-01T03:28:15,462   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,463   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,464   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/19_C4H2_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,465   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_dim_HW30.xyz'
2025-06-01T03:28:15,469   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monA_HW30.xyz'
2025-06-01T03:28:15,470   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/20_C4H2_H2O_CH__Op_monB_HW30.xyz'
2025-06-01T03:28:15,471   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,472   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,473   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/21_C4H2_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,475   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_dim_HW30.xyz'
2025-06-01T03:28:15,476   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monA_HW30.xyz'
2025-06-01T03:28:15,477   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/22_C4H2_H2O_OH2__pi_monB_HW30.xyz'
2025-06-01T03:28:15,478   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,479   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,481   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/23_C2H4_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,482   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_dim_HW30.xyz'
2025-06-01T03:28:15,483   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monA_HW30.xyz'
2025-06-01T03:28:15,484   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/24_C2H4_H2O_CH2__O_monB_HW30.xyz'
2025-06-01T03:28:15,485   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_dim_HW30.xyz'
2025-06-01T03:28:15,486   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monA_HW30.xyz'
2025-06-01T03:28:15,488   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/25_C2H4_H2O_CH2__Opi_monB_HW30.xyz'
2025-06-01T03:28:15,489   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,490   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,491   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/26_C4H6_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,492   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_dim_HW30.xyz'
2025-06-01T03:28:15,493   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monA_HW30.xyz'
2025-06-01T03:28:15,494   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/27_C4H6_H2O_CH2__O_monB_HW30.xyz'
2025-06-01T03:28:15,496   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,497   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,498   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/28_C4H6_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,499   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_dim_HW30.xyz'
2025-06-01T03:28:15,500   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monA_HW30.xyz'
2025-06-01T03:28:15,501   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/29_C4H4_H2O_CH__Op_monB_HW30.xyz'
2025-06-01T03:28:15,502   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,504   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,505   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/30_C4H4_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,506   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,507   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,508   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/31_C4H4_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,509   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_dim_HW30.xyz'
2025-06-01T03:28:15,510   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monA_HW30.xyz'
2025-06-01T03:28:15,511   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/32_C4H4_H2O_OH2__pi_monB_HW30.xyz'
2025-06-01T03:28:15,513   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,514   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,515   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/33_C5H6_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,516   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,517   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,518   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/34_C5H6_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,520   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_dim_HW30.xyz'
2025-06-01T03:28:15,521   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monA_HW30.xyz'
2025-06-01T03:28:15,522   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/35_C5H6_H2O_OH2__pi_monB_HW30.xyz'
2025-06-01T03:28:15,523   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_dim_HW30.xyz'
2025-06-01T03:28:15,524   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monA_HW30.xyz'
2025-06-01T03:28:15,525   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/36_C6H6_H2O_CH__O_monB_HW30.xyz'
2025-06-01T03:28:15,527   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_dim_HW30.xyz'
2025-06-01T03:28:15,528   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monA_HW30.xyz'
2025-06-01T03:28:15,529   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/37_C6H6_H2O_CH__Onp_monB_HW30.xyz'
2025-06-01T03:28:15,530   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_dim_HW30.xyz'
2025-06-01T03:28:15,531   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monA_HW30.xyz'
2025-06-01T03:28:15,533   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/38_C6H6_H2O_CH__Op_monB_HW30.xyz'
2025-06-01T03:28:15,534   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_dim_HW30.xyz'
2025-06-01T03:28:15,535   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monA_HW30.xyz'
2025-06-01T03:28:15,536   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/39_C6H6_H2O_OH__pi_monB_HW30.xyz'
2025-06-01T03:28:15,537   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_dim_HW30.xyz'
2025-06-01T03:28:15,539   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monA_HW30.xyz'
2025-06-01T03:28:15,540   adding 'xcbm/MGCDB84_Dataset/Geometries/HW30/40_C6H6_H2O_OH2__pi_monB_HW30.xyz'
2025-06-01T03:28:15,542   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_HW6Cl.xyz'
2025-06-01T03:28:15,543   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,544   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/11_H2O1Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,545   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_HW6Cl.xyz'
2025-06-01T03:28:15,546   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,547   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,548   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/12_H2O2Cl_mon3_HW6Cl.xyz'
2025-06-01T03:28:15,549   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_HW6Cl.xyz'
2025-06-01T03:28:15,551   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,552   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,553   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon3_HW6Cl.xyz'
2025-06-01T03:28:15,554   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/13_H2O3Cl_mon4_HW6Cl.xyz'
2025-06-01T03:28:15,555   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_HW6Cl.xyz'
2025-06-01T03:28:15,556   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,557   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,558   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon3_HW6Cl.xyz'
2025-06-01T03:28:15,560   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon4_HW6Cl.xyz'
2025-06-01T03:28:15,561   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/14_H2O4Cl_mon5_HW6Cl.xyz'
2025-06-01T03:28:15,562   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_HW6Cl.xyz'
2025-06-01T03:28:15,563   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,564   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,565   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon3_HW6Cl.xyz'
2025-06-01T03:28:15,566   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon4_HW6Cl.xyz'
2025-06-01T03:28:15,567   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon5_HW6Cl.xyz'
2025-06-01T03:28:15,569   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/15_H2O5Cl_mon6_HW6Cl.xyz'
2025-06-01T03:28:15,570   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_HW6Cl.xyz'
2025-06-01T03:28:15,571   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon1_HW6Cl.xyz'
2025-06-01T03:28:15,572   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon2_HW6Cl.xyz'
2025-06-01T03:28:15,573   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon3_HW6Cl.xyz'
2025-06-01T03:28:15,574   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon4_HW6Cl.xyz'
2025-06-01T03:28:15,576   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon5_HW6Cl.xyz'
2025-06-01T03:28:15,577   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon6_HW6Cl.xyz'
2025-06-01T03:28:15,578   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6Cl/16_H2O6Cl_mon7_HW6Cl.xyz'
2025-06-01T03:28:15,580   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_HW6F.xyz'
2025-06-01T03:28:15,581   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon1_HW6F.xyz'
2025-06-01T03:28:15,583   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/11_H2O1F_mon2_HW6F.xyz'
2025-06-01T03:28:15,584   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_HW6F.xyz'
2025-06-01T03:28:15,585   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon1_HW6F.xyz'
2025-06-01T03:28:15,586   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon2_HW6F.xyz'
2025-06-01T03:28:15,587   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/12_H2O2F_mon3_HW6F.xyz'
2025-06-01T03:28:15,588   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_HW6F.xyz'
2025-06-01T03:28:15,589   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon1_HW6F.xyz'
2025-06-01T03:28:15,590   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon2_HW6F.xyz'
2025-06-01T03:28:15,591   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon3_HW6F.xyz'
2025-06-01T03:28:15,592   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/13_H2O3F_mon4_HW6F.xyz'
2025-06-01T03:28:15,594   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_HW6F.xyz'
2025-06-01T03:28:15,595   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon1_HW6F.xyz'
2025-06-01T03:28:15,596   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon2_HW6F.xyz'
2025-06-01T03:28:15,597   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon3_HW6F.xyz'
2025-06-01T03:28:15,598   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon4_HW6F.xyz'
2025-06-01T03:28:15,599   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/14_H2O4F_mon5_HW6F.xyz'
2025-06-01T03:28:15,600   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_HW6F.xyz'
2025-06-01T03:28:15,601   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon1_HW6F.xyz'
2025-06-01T03:28:15,602   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon2_HW6F.xyz'
2025-06-01T03:28:15,603   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon3_HW6F.xyz'
2025-06-01T03:28:15,604   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon4_HW6F.xyz'
2025-06-01T03:28:15,605   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon5_HW6F.xyz'
2025-06-01T03:28:15,607   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/15_H2O5F_mon6_HW6F.xyz'
2025-06-01T03:28:15,608   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_HW6F.xyz'
2025-06-01T03:28:15,609   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon1_HW6F.xyz'
2025-06-01T03:28:15,610   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon2_HW6F.xyz'
2025-06-01T03:28:15,611   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon3_HW6F.xyz'
2025-06-01T03:28:15,612   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon4_HW6F.xyz'
2025-06-01T03:28:15,613   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon5_HW6F.xyz'
2025-06-01T03:28:15,614   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon6_HW6F.xyz'
2025-06-01T03:28:15,616   adding 'xcbm/MGCDB84_Dataset/Geometries/HW6F/16_H2O6F_mon7_HW6F.xyz'
2025-06-01T03:28:15,617   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/11_C+_IP13.xyz'
2025-06-01T03:28:15,619   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/12_C_IP13.xyz'
2025-06-01T03:28:15,620   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/13_Cl2+_IP13.xyz'
2025-06-01T03:28:15,621   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/14_Cl2_IP13.xyz'
2025-06-01T03:28:15,622   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/15_Cl+_IP13.xyz'
2025-06-01T03:28:15,623   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/16_Cl_IP13.xyz'
2025-06-01T03:28:15,624   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/17_O2+_IP13.xyz'
2025-06-01T03:28:15,625   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/18_O2_IP13.xyz'
2025-06-01T03:28:15,626   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/19_O+_IP13.xyz'
2025-06-01T03:28:15,627   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/20_O_IP13.xyz'
2025-06-01T03:28:15,628   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/21_OH+_IP13.xyz'
2025-06-01T03:28:15,629   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/22_OH_IP13.xyz'
2025-06-01T03:28:15,631   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/23_P+_IP13.xyz'
2025-06-01T03:28:15,632   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/24_P_IP13.xyz'
2025-06-01T03:28:15,633   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/25_PH2+_IP13.xyz'
2025-06-01T03:28:15,634   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/26_PH2_IP13.xyz'
2025-06-01T03:28:15,635   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/27_PH+_IP13.xyz'
2025-06-01T03:28:15,636   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/28_PH_IP13.xyz'
2025-06-01T03:28:15,637   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/29_S2+_IP13.xyz'
2025-06-01T03:28:15,638   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/30_S2_IP13.xyz'
2025-06-01T03:28:15,639   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/31_S+_IP13.xyz'
2025-06-01T03:28:15,640   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/32_S_IP13.xyz'
2025-06-01T03:28:15,641   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/33_SH+_IP13.xyz'
2025-06-01T03:28:15,642   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/34_SH_IP13.xyz'
2025-06-01T03:28:15,643   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/35_Si+_IP13.xyz'
2025-06-01T03:28:15,644   adding 'xcbm/MGCDB84_Dataset/Geometries/IP13/36_Si_IP13.xyz'
2025-06-01T03:28:15,646   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/101_acetaldehyde_W4-11.xyz'
2025-06-01T03:28:15,647   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/110_allene_W4-11.xyz'
2025-06-01T03:28:15,648   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/126_c2h2_W4-11.xyz'
2025-06-01T03:28:15,649   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/137_ch2c_W4-11.xyz'
2025-06-01T03:28:15,650   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/140_ch2nh2_W4-11.xyz'
2025-06-01T03:28:15,651   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/147_ch3nh_W4-11.xyz'
2025-06-01T03:28:15,653   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/149_c-hcoh_W4-11.xyz'
2025-06-01T03:28:15,654   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/151_c-hono_W4-11.xyz'
2025-06-01T03:28:15,655   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/152_c-hooo_W4-11.xyz'
2025-06-01T03:28:15,656   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/159_cloo_W4-11.xyz'
2025-06-01T03:28:15,657   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/160_c-n2h2_W4-11.xyz'
2025-06-01T03:28:15,658   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/166_dioxirane_W4-11.xyz'
2025-06-01T03:28:15,659   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/175_formic_W4-11.xyz'
2025-06-01T03:28:15,660   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/177_h2cn_W4-11.xyz'
2025-06-01T03:28:15,662   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/178_h2co_W4-11.xyz'
2025-06-01T03:28:15,663   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/184_hcn_W4-11.xyz'
2025-06-01T03:28:15,664   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/185_hcnh_W4-11.xyz'
2025-06-01T03:28:15,665   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/186_hcno_W4-11.xyz'
2025-06-01T03:28:15,666   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/191_hnc_W4-11.xyz'
2025-06-01T03:28:15,667   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/192_hnco_W4-11.xyz'
2025-06-01T03:28:15,669   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/196_hocn_W4-11.xyz'
2025-06-01T03:28:15,670   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/198_honc_W4-11.xyz'
2025-06-01T03:28:15,671   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/202_ketene_W4-11.xyz'
2025-06-01T03:28:15,672   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/218_oclo_W4-11.xyz'
2025-06-01T03:28:15,673   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/223_oxirane_W4-11.xyz'
2025-06-01T03:28:15,674   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/224_oxirene_W4-11.xyz'
2025-06-01T03:28:15,675   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/231_propyne_W4-11.xyz'
2025-06-01T03:28:15,677   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/249_t-hcoh_W4-11.xyz'
2025-06-01T03:28:15,678   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/250_t-hono_W4-11.xyz'
2025-06-01T03:28:15,679   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/251_t-hooo_W4-11.xyz'
2025-06-01T03:28:15,680   adding 'xcbm/MGCDB84_Dataset/Geometries/ISOMERIZATION20/252_t-n2h2_W4-11.xyz'
2025-06-01T03:28:15,684   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_dim_IL16.xyz'
2025-06-01T03:28:15,686   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monA_IL16.xyz'
2025-06-01T03:28:15,687   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_008_monB_IL16.xyz'
2025-06-01T03:28:15,688   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_dim_AHB21.xyz'
2025-06-01T03:28:15,689   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monA_AHB21.xyz'
2025-06-01T03:28:15,690   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_F-_NH3_monB_AHB21.xyz'
2025-06-01T03:28:15,691   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_dim_CHB6.xyz'
2025-06-01T03:28:15,692   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monA_CHB6.xyz'
2025-06-01T03:28:15,693   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/11_Li+_H2O_monB_CHB6.xyz'
2025-06-01T03:28:15,694   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_dim_IL16.xyz'
2025-06-01T03:28:15,695   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monA_IL16.xyz'
2025-06-01T03:28:15,697   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_144_monB_IL16.xyz'
2025-06-01T03:28:15,698   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,699   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,700   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_F-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,701   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_dim_CHB6.xyz'
2025-06-01T03:28:15,702   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monA_CHB6.xyz'
2025-06-01T03:28:15,703   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/12_Na+_H2O_monB_CHB6.xyz'
2025-06-01T03:28:15,704   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_dim_IL16.xyz'
2025-06-01T03:28:15,706   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monA_IL16.xyz'
2025-06-01T03:28:15,707   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_147_monB_IL16.xyz'
2025-06-01T03:28:15,708   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_dim_AHB21.xyz'
2025-06-01T03:28:15,709   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monA_AHB21.xyz'
2025-06-01T03:28:15,710   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_F-_HF_monB_AHB21.xyz'
2025-06-01T03:28:15,711   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_dim_CHB6.xyz'
2025-06-01T03:28:15,712   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monA_CHB6.xyz'
2025-06-01T03:28:15,714   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/13_K+_H2O_monB_CHB6.xyz'
2025-06-01T03:28:15,715   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_dim_IL16.xyz'
2025-06-01T03:28:15,716   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monA_IL16.xyz'
2025-06-01T03:28:15,717   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_148_monB_IL16.xyz'
2025-06-01T03:28:15,718   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_dim_AHB21.xyz'
2025-06-01T03:28:15,719   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monA_AHB21.xyz'
2025-06-01T03:28:15,721   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Cl-_NH3_monB_AHB21.xyz'
2025-06-01T03:28:15,722   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_dim_CHB6.xyz'
2025-06-01T03:28:15,723   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monA_CHB6.xyz'
2025-06-01T03:28:15,724   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/14_Li+_C6H6_monB_CHB6.xyz'
2025-06-01T03:28:15,725   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_dim_IL16.xyz'
2025-06-01T03:28:15,726   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monA_IL16.xyz'
2025-06-01T03:28:15,728   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_150_monB_IL16.xyz'
2025-06-01T03:28:15,729   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,730   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,731   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Cl-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,733   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_dim_CHB6.xyz'
2025-06-01T03:28:15,734   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monA_CHB6.xyz'
2025-06-01T03:28:15,735   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/15_Na+_C6H6_monB_CHB6.xyz'
2025-06-01T03:28:15,736   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_dim_IL16.xyz'
2025-06-01T03:28:15,738   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monA_IL16.xyz'
2025-06-01T03:28:15,739   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_152_monB_IL16.xyz'
2025-06-01T03:28:15,740   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_dim_AHB21.xyz'
2025-06-01T03:28:15,741   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monA_AHB21.xyz'
2025-06-01T03:28:15,742   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_Cl-_HF_monB_AHB21.xyz'
2025-06-01T03:28:15,743   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_dim_CHB6.xyz'
2025-06-01T03:28:15,744   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monA_CHB6.xyz'
2025-06-01T03:28:15,745   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/16_K+_C6H6_monB_CHB6.xyz'
2025-06-01T03:28:15,747   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_dim_IL16.xyz'
2025-06-01T03:28:15,748   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monA_IL16.xyz'
2025-06-01T03:28:15,749   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_187_monB_IL16.xyz'
2025-06-01T03:28:15,750   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_dim_AHB21.xyz'
2025-06-01T03:28:15,751   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monA_AHB21.xyz'
2025-06-01T03:28:15,752   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/17_Cl-_H2S_monB_AHB21.xyz'
2025-06-01T03:28:15,753   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_dim_IL16.xyz'
2025-06-01T03:28:15,754   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monA_IL16.xyz'
2025-06-01T03:28:15,756   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_202_monB_IL16.xyz'
2025-06-01T03:28:15,757   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_dim_AHB21.xyz'
2025-06-01T03:28:15,758   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monA_AHB21.xyz'
2025-06-01T03:28:15,759   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/18_Cl-_HCl_monB_AHB21.xyz'
2025-06-01T03:28:15,760   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_dim_IL16.xyz'
2025-06-01T03:28:15,761   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monA_IL16.xyz'
2025-06-01T03:28:15,762   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_212_monB_IL16.xyz'
2025-06-01T03:28:15,764   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_dim_AHB21.xyz'
2025-06-01T03:28:15,765   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monA_AHB21.xyz'
2025-06-01T03:28:15,766   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/19_OH-_NH3_monB_AHB21.xyz'
2025-06-01T03:28:15,767   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_dim_IL16.xyz'
2025-06-01T03:28:15,768   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monA_IL16.xyz'
2025-06-01T03:28:15,769   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_213_monB_IL16.xyz'
2025-06-01T03:28:15,771   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,772   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,773   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/20_OH-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,774   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_dim_IL16.xyz'
2025-06-01T03:28:15,775   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monA_IL16.xyz'
2025-06-01T03:28:15,776   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_214_monB_IL16.xyz'
2025-06-01T03:28:15,777   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_dim_AHB21.xyz'
2025-06-01T03:28:15,779   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monA_AHB21.xyz'
2025-06-01T03:28:15,780   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/21_N3-_NH3_monB_AHB21.xyz'
2025-06-01T03:28:15,781   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_dim_IL16.xyz'
2025-06-01T03:28:15,782   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monA_IL16.xyz'
2025-06-01T03:28:15,783   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_227_monB_IL16.xyz'
2025-06-01T03:28:15,784   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,785   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,786   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/22_N3-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,788   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_dim_IL16.xyz'
2025-06-01T03:28:15,789   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monA_IL16.xyz'
2025-06-01T03:28:15,790   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_228_monB_IL16.xyz'
2025-06-01T03:28:15,791   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_dim_AHB21.xyz'
2025-06-01T03:28:15,792   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monA_AHB21.xyz'
2025-06-01T03:28:15,793   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/23_N3-_HF_monB_AHB21.xyz'
2025-06-01T03:28:15,794   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_dim_IL16.xyz'
2025-06-01T03:28:15,795   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monA_IL16.xyz'
2025-06-01T03:28:15,796   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_229_monB_IL16.xyz'
2025-06-01T03:28:15,797   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_dim_AHB21.xyz'
2025-06-01T03:28:15,799   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monA_AHB21.xyz'
2025-06-01T03:28:15,800   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/24_N3-_H2S_monB_AHB21.xyz'
2025-06-01T03:28:15,801   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_dim_IL16.xyz'
2025-06-01T03:28:15,802   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monA_IL16.xyz'
2025-06-01T03:28:15,804   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_230_monB_IL16.xyz'
2025-06-01T03:28:15,805   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_dim_AHB21.xyz'
2025-06-01T03:28:15,806   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monA_AHB21.xyz'
2025-06-01T03:28:15,807   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/25_SH-_NH3_monB_AHB21.xyz'
2025-06-01T03:28:15,808   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_dim_IL16.xyz'
2025-06-01T03:28:15,810   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monA_IL16.xyz'
2025-06-01T03:28:15,811   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_231_monB_IL16.xyz'
2025-06-01T03:28:15,812   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,813   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,814   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/26_SH-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,815   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_dim_AHB21.xyz'
2025-06-01T03:28:15,816   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monA_AHB21.xyz'
2025-06-01T03:28:15,818   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/27_SH-_HF_monB_AHB21.xyz'
2025-06-01T03:28:15,819   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_dim_AHB21.xyz'
2025-06-01T03:28:15,820   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monA_AHB21.xyz'
2025-06-01T03:28:15,821   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/28_HCOO-_CH3NH2_monB_AHB21.xyz'
2025-06-01T03:28:15,823   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_dim_AHB21.xyz'
2025-06-01T03:28:15,824   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monA_AHB21.xyz'
2025-06-01T03:28:15,825   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/29_HCOO-_CH3OH_monB_AHB21.xyz'
2025-06-01T03:28:15,827   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_dim_AHB21.xyz'
2025-06-01T03:28:15,828   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monA_AHB21.xyz'
2025-06-01T03:28:15,830   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/30_HCOO-_H2O_monB_AHB21.xyz'
2025-06-01T03:28:15,831   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_dim_AHB21.xyz'
2025-06-01T03:28:15,833   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monA_AHB21.xyz'
2025-06-01T03:28:15,834   adding 'xcbm/MGCDB84_Dataset/Geometries/Ionic43/31_HCOO-_HF_monB_AHB21.xyz'
2025-06-01T03:28:15,837   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/11_conf_aa_Melatonin52.xyz'
2025-06-01T03:28:15,839   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/12_conf_ac_Melatonin52.xyz'
2025-06-01T03:28:15,840   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/13_conf_ae_Melatonin52.xyz'
2025-06-01T03:28:15,842   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/14_conf_ag_Melatonin52.xyz'
2025-06-01T03:28:15,844   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/15_conf_ai_Melatonin52.xyz'
2025-06-01T03:28:15,845   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/16_conf_ak_Melatonin52.xyz'
2025-06-01T03:28:15,847   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/17_conf_am_Melatonin52.xyz'
2025-06-01T03:28:15,848   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/18_conf_ao_Melatonin52.xyz'
2025-06-01T03:28:15,850   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/19_conf_aq_Melatonin52.xyz'
2025-06-01T03:28:15,851   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/20_conf_as_Melatonin52.xyz'
2025-06-01T03:28:15,853   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/21_conf_au_Melatonin52.xyz'
2025-06-01T03:28:15,854   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/22_conf_aw_Melatonin52.xyz'
2025-06-01T03:28:15,856   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/23_conf_ay_Melatonin52.xyz'
2025-06-01T03:28:15,858   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/24_conf_ba_Melatonin52.xyz'
2025-06-01T03:28:15,859   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/25_conf_bc_Melatonin52.xyz'
2025-06-01T03:28:15,861   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/26_conf_be_Melatonin52.xyz'
2025-06-01T03:28:15,863   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/27_conf_bg_Melatonin52.xyz'
2025-06-01T03:28:15,864   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/28_conf_bi_Melatonin52.xyz'
2025-06-01T03:28:15,866   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/29_conf_bk_Melatonin52.xyz'
2025-06-01T03:28:15,867   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/30_conf_bo_Melatonin52.xyz'
2025-06-01T03:28:15,869   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/31_conf_bo_Melatonin52.xyz'
2025-06-01T03:28:15,871   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/32_conf_bq_Melatonin52.xyz'
2025-06-01T03:28:15,872   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/33_conf_bs_Melatonin52.xyz'
2025-06-01T03:28:15,874   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/34_conf_bu_Melatonin52.xyz'
2025-06-01T03:28:15,875   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/35_conf_bw_Melatonin52.xyz'
2025-06-01T03:28:15,877   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/36_conf_by_Melatonin52.xyz'
2025-06-01T03:28:15,879   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/37_conf_ca_Melatonin52.xyz'
2025-06-01T03:28:15,881   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/38_conf_cc_Melatonin52.xyz'
2025-06-01T03:28:15,883   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/39_conf_ce_Melatonin52.xyz'
2025-06-01T03:28:15,885   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/40_conf_cg_Melatonin52.xyz'
2025-06-01T03:28:15,886   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/41_conf_ci_Melatonin52.xyz'
2025-06-01T03:28:15,888   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/42_conf_ck_Melatonin52.xyz'
2025-06-01T03:28:15,890   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/43_conf_cm_Melatonin52.xyz'
2025-06-01T03:28:15,892   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/44_conf_co_Melatonin52.xyz'
2025-06-01T03:28:15,893   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/45_conf_cq_Melatonin52.xyz'
2025-06-01T03:28:15,895   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/46_conf_cs_Melatonin52.xyz'
2025-06-01T03:28:15,897   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/47_conf_cu_Melatonin52.xyz'
2025-06-01T03:28:15,898   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/48_conf_cw_Melatonin52.xyz'
2025-06-01T03:28:15,900   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/49_conf_cy_Melatonin52.xyz'
2025-06-01T03:28:15,902   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/50_conf_da_Melatonin52.xyz'
2025-06-01T03:28:15,903   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/51_conf_dc_Melatonin52.xyz'
2025-06-01T03:28:15,905   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/52_conf_de_Melatonin52.xyz'
2025-06-01T03:28:15,907   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/53_conf_dg_Melatonin52.xyz'
2025-06-01T03:28:15,908   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/54_conf_di_Melatonin52.xyz'
2025-06-01T03:28:15,910   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/55_conf_dk_Melatonin52.xyz'
2025-06-01T03:28:15,912   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/56_conf_dl_Melatonin52.xyz'
2025-06-01T03:28:15,913   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/57_conf_dn_Melatonin52.xyz'
2025-06-01T03:28:15,915   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/58_conf_dp_Melatonin52.xyz'
2025-06-01T03:28:15,916   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/59_conf_dr_Melatonin52.xyz'
2025-06-01T03:28:15,918   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/60_conf_dt_Melatonin52.xyz'
2025-06-01T03:28:15,920   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/61_conf_dv_Melatonin52.xyz'
2025-06-01T03:28:15,921   adding 'xcbm/MGCDB84_Dataset/Geometries/Melatonin52/62_conf_dw_Melatonin52.xyz'
2025-06-01T03:28:15,927   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_dim_NBC10.xyz'
2025-06-01T03:28:15,928   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monA_NBC10.xyz'
2025-06-01T03:28:15,929   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/101_BzBz_PD32-0p2_monB_NBC10.xyz'
2025-06-01T03:28:15,931   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/102_BzBz_PD32-0p4_dim_NBC10.xyz'
2025-06-01T03:28:15,932   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/103_BzBz_PD32-0p6_dim_NBC10.xyz'
2025-06-01T03:28:15,934   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/104_BzBz_PD32-0p8_dim_NBC10.xyz'
2025-06-01T03:28:15,935   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/105_BzBz_PD32-1p0_dim_NBC10.xyz'
2025-06-01T03:28:15,936   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/106_BzBz_PD32-1p2_dim_NBC10.xyz'
2025-06-01T03:28:15,938   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/107_BzBz_PD32-1p4_dim_NBC10.xyz'
2025-06-01T03:28:15,939   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/108_BzBz_PD32-1p5_dim_NBC10.xyz'
2025-06-01T03:28:15,941   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/109_BzBz_PD32-1p6_dim_NBC10.xyz'
2025-06-01T03:28:15,942   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/110_BzBz_PD32-1p7_dim_NBC10.xyz'
2025-06-01T03:28:15,944   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/111_BzBz_PD32-1p8_dim_NBC10.xyz'
2025-06-01T03:28:15,945   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/112_BzBz_PD32-1p9_dim_NBC10.xyz'
2025-06-01T03:28:15,946   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/113_BzBz_PD32-2p0_dim_NBC10.xyz'
2025-06-01T03:28:15,948   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/114_BzBz_PD32-2p2_dim_NBC10.xyz'
2025-06-01T03:28:15,949   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/115_BzBz_PD32-2p4_dim_NBC10.xyz'
2025-06-01T03:28:15,951   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/116_BzBz_PD32-2p6_dim_NBC10.xyz'
2025-06-01T03:28:15,952   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/117_BzBz_PD32-2p8_dim_NBC10.xyz'
2025-06-01T03:28:15,954   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/118_BzBz_PD32-3p0_dim_NBC10.xyz'
2025-06-01T03:28:15,955   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_dim_NBC10.xyz'
2025-06-01T03:28:15,956   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monA_NBC10.xyz'
2025-06-01T03:28:15,958   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/119_BzBz_PD34-0p2_monB_NBC10.xyz'
2025-06-01T03:28:15,959   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/120_BzBz_PD34-0p4_dim_NBC10.xyz'
2025-06-01T03:28:15,961   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/121_BzBz_PD34-0p6_dim_NBC10.xyz'
2025-06-01T03:28:15,962   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/122_BzBz_PD34-0p8_dim_NBC10.xyz'
2025-06-01T03:28:15,964   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/123_BzBz_PD34-1p0_dim_NBC10.xyz'
2025-06-01T03:28:15,965   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/124_BzBz_PD34-1p2_dim_NBC10.xyz'
2025-06-01T03:28:15,967   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/125_BzBz_PD34-1p4_dim_NBC10.xyz'
2025-06-01T03:28:15,968   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/126_BzBz_PD34-1p5_dim_NBC10.xyz'
2025-06-01T03:28:15,970   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/127_BzBz_PD34-1p6_dim_NBC10.xyz'
2025-06-01T03:28:15,971   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/128_BzBz_PD34-1p7_dim_NBC10.xyz'
2025-06-01T03:28:15,973   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/129_BzBz_PD34-1p8_dim_NBC10.xyz'
2025-06-01T03:28:15,975   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/130_BzBz_PD34-1p9_dim_NBC10.xyz'
2025-06-01T03:28:15,976   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/131_BzBz_PD34-2p0_dim_NBC10.xyz'
2025-06-01T03:28:15,978   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/132_BzBz_PD34-2p2_dim_NBC10.xyz'
2025-06-01T03:28:15,979   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/133_BzBz_PD34-2p4_dim_NBC10.xyz'
2025-06-01T03:28:15,981   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/134_BzBz_PD34-2p6_dim_NBC10.xyz'
2025-06-01T03:28:15,982   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/135_BzBz_PD34-2p8_dim_NBC10.xyz'
2025-06-01T03:28:15,984   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/136_BzBz_PD34-3p0_dim_NBC10.xyz'
2025-06-01T03:28:15,986   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_dim_NBC10.xyz'
2025-06-01T03:28:15,987   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monA_NBC10.xyz'
2025-06-01T03:28:15,989   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/137_BzBz_PD36-0p2_monB_NBC10.xyz'
2025-06-01T03:28:15,990   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/138_BzBz_PD36-0p4_dim_NBC10.xyz'
2025-06-01T03:28:15,992   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/139_BzBz_PD36-0p6_dim_NBC10.xyz'
2025-06-01T03:28:15,993   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/140_BzBz_PD36-0p8_dim_NBC10.xyz'
2025-06-01T03:28:15,995   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/141_BzBz_PD36-1p0_dim_NBC10.xyz'
2025-06-01T03:28:15,997   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/142_BzBz_PD36-1p2_dim_NBC10.xyz'
2025-06-01T03:28:15,998   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/143_BzBz_PD36-1p4_dim_NBC10.xyz'
2025-06-01T03:28:16,000   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/144_BzBz_PD36-1p5_dim_NBC10.xyz'
2025-06-01T03:28:16,001   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/145_BzBz_PD36-1p6_dim_NBC10.xyz'
2025-06-01T03:28:16,003   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/146_BzBz_PD36-1p7_dim_NBC10.xyz'
2025-06-01T03:28:16,004   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/147_BzBz_PD36-1p8_dim_NBC10.xyz'
2025-06-01T03:28:16,006   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/148_BzBz_PD36-1p9_dim_NBC10.xyz'
2025-06-01T03:28:16,007   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/149_BzBz_PD36-2p0_dim_NBC10.xyz'
2025-06-01T03:28:16,009   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/150_BzBz_PD36-2p2_dim_NBC10.xyz'
2025-06-01T03:28:16,010   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/151_BzBz_PD36-2p4_dim_NBC10.xyz'
2025-06-01T03:28:16,012   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/152_BzBz_PD36-2p6_dim_NBC10.xyz'
2025-06-01T03:28:16,014   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/153_BzBz_PD36-2p8_dim_NBC10.xyz'
2025-06-01T03:28:16,015   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/154_BzBz_PD36-3p0_dim_NBC10.xyz'
2025-06-01T03:28:16,017   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_dim_NBC10.xyz'
2025-06-01T03:28:16,018   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monA_NBC10.xyz'
2025-06-01T03:28:16,020   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/155_BzBz_S-3p2_monB_NBC10.xyz'
2025-06-01T03:28:16,021   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/156_BzBz_S-3p3_dim_NBC10.xyz'
2025-06-01T03:28:16,023   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/157_BzBz_S-3p4_dim_NBC10.xyz'
2025-06-01T03:28:16,024   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/158_BzBz_S-3p5_dim_NBC10.xyz'
2025-06-01T03:28:16,026   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/159_BzBz_S-3p6_dim_NBC10.xyz'
2025-06-01T03:28:16,027   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/160_BzBz_S-3p7_dim_NBC10.xyz'
2025-06-01T03:28:16,029   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/161_BzBz_S-3p8_dim_NBC10.xyz'
2025-06-01T03:28:16,031   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/162_BzBz_S-3p9_dim_NBC10.xyz'
2025-06-01T03:28:16,032   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/163_BzBz_S-4p0_dim_NBC10.xyz'
2025-06-01T03:28:16,034   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/164_BzBz_S-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,035   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/165_BzBz_S-4p2_dim_NBC10.xyz'
2025-06-01T03:28:16,036   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/166_BzBz_S-4p5_dim_NBC10.xyz'
2025-06-01T03:28:16,038   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/167_BzBz_S-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,039   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/168_BzBz_S-5p5_dim_NBC10.xyz'
2025-06-01T03:28:16,041   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/169_BzBz_S-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,043   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/170_BzBz_S-6p5_dim_NBC10.xyz'
2025-06-01T03:28:16,044   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/171_BzBz_S-10p0_dim_NBC10.xyz'
2025-06-01T03:28:16,046   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_dim_NBC10.xyz'
2025-06-01T03:28:16,047   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monA_NBC10.xyz'
2025-06-01T03:28:16,049   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/172_BzBz_T-4p4_monB_NBC10.xyz'
2025-06-01T03:28:16,050   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/173_BzBz_T-4p5_dim_NBC10.xyz'
2025-06-01T03:28:16,052   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/174_BzBz_T-4p6_dim_NBC10.xyz'
2025-06-01T03:28:16,053   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/175_BzBz_T-4p7_dim_NBC10.xyz'
2025-06-01T03:28:16,054   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/176_BzBz_T-4p8_dim_NBC10.xyz'
2025-06-01T03:28:16,056   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/177_BzBz_T-4p9_dim_NBC10.xyz'
2025-06-01T03:28:16,057   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/178_BzBz_T-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,058   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/179_BzBz_T-5p1_dim_NBC10.xyz'
2025-06-01T03:28:16,060   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/180_BzBz_T-5p2_dim_NBC10.xyz'
2025-06-01T03:28:16,061   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/181_BzBz_T-5p3_dim_NBC10.xyz'
2025-06-01T03:28:16,062   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/182_BzBz_T-5p4_dim_NBC10.xyz'
2025-06-01T03:28:16,063   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/183_BzBz_T-5p5_dim_NBC10.xyz'
2025-06-01T03:28:16,064   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/184_BzBz_T-5p6_dim_NBC10.xyz'
2025-06-01T03:28:16,066   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/185_BzBz_T-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,067   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/186_BzBz_T-6p5_dim_NBC10.xyz'
2025-06-01T03:28:16,068   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/187_BzBz_T-7p0_dim_NBC10.xyz'
2025-06-01T03:28:16,069   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/188_BzBz_T-7p5_dim_NBC10.xyz'
2025-06-01T03:28:16,070   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/189_BzBz_T-8p0_dim_NBC10.xyz'
2025-06-01T03:28:16,071   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_dim_NBC10.xyz'
2025-06-01T03:28:16,073   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monA_NBC10.xyz'
2025-06-01T03:28:16,074   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/190_BzH2S-3p2_monB_NBC10.xyz'
2025-06-01T03:28:16,075   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/191_BzH2S-3p4_dim_NBC10.xyz'
2025-06-01T03:28:16,076   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/192_BzH2S-3p5_dim_NBC10.xyz'
2025-06-01T03:28:16,077   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/193_BzH2S-3p6_dim_NBC10.xyz'
2025-06-01T03:28:16,078   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/194_BzH2S-3p7_dim_NBC10.xyz'
2025-06-01T03:28:16,079   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/195_BzH2S-3p8_dim_NBC10.xyz'
2025-06-01T03:28:16,080   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/196_BzH2S-3p9_dim_NBC10.xyz'
2025-06-01T03:28:16,081   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/197_BzH2S-4p0_dim_NBC10.xyz'
2025-06-01T03:28:16,082   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/198_BzH2S-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,083   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/199_BzH2S-4p2_dim_NBC10.xyz'
2025-06-01T03:28:16,085   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/200_BzH2S-4p5_dim_NBC10.xyz'
2025-06-01T03:28:16,086   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/201_BzH2S-4p75_dim_NBC10.xyz'
2025-06-01T03:28:16,087   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/202_BzH2S-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,088   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/203_BzH2S-5p25_dim_NBC10.xyz'
2025-06-01T03:28:16,089   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/204_BzH2S-5p5_dim_NBC10.xyz'
2025-06-01T03:28:16,090   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/205_BzH2S-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,091   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/206_BzH2S-6p5_dim_NBC10.xyz'
2025-06-01T03:28:16,092   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/207_BzH2S-7p0_dim_NBC10.xyz'
2025-06-01T03:28:16,093   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/208_BzH2S-7p5_dim_NBC10.xyz'
2025-06-01T03:28:16,095   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_dim_NBC10.xyz'
2025-06-01T03:28:16,096   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monA_NBC10.xyz'
2025-06-01T03:28:16,097   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/209_BzMe-3p2_monB_NBC10.xyz'
2025-06-01T03:28:16,098   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/210_BzMe-3p3_dim_NBC10.xyz'
2025-06-01T03:28:16,099   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/211_BzMe-3p4_dim_NBC10.xyz'
2025-06-01T03:28:16,100   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/212_BzMe-3p5_dim_NBC10.xyz'
2025-06-01T03:28:16,101   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/213_BzMe-3p6_dim_NBC10.xyz'
2025-06-01T03:28:16,103   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/214_BzMe-3p7_dim_NBC10.xyz'
2025-06-01T03:28:16,104   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/215_BzMe-3p8_dim_NBC10.xyz'
2025-06-01T03:28:16,105   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/216_BzMe-3p9_dim_NBC10.xyz'
2025-06-01T03:28:16,106   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/217_BzMe-4p0_dim_NBC10.xyz'
2025-06-01T03:28:16,107   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/218_BzMe-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,108   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/219_BzMe-4p2_dim_NBC10.xyz'
2025-06-01T03:28:16,109   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/220_BzMe-4p4_dim_NBC10.xyz'
2025-06-01T03:28:16,111   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/221_BzMe-4p6_dim_NBC10.xyz'
2025-06-01T03:28:16,112   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/222_BzMe-4p8_dim_NBC10.xyz'
2025-06-01T03:28:16,113   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/223_BzMe-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,114   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/224_BzMe-5p2_dim_NBC10.xyz'
2025-06-01T03:28:16,115   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/225_BzMe-5p4_dim_NBC10.xyz'
2025-06-01T03:28:16,116   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/226_BzMe-5p6_dim_NBC10.xyz'
2025-06-01T03:28:16,118   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/227_BzMe-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,119   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_dim_NBC10.xyz'
2025-06-01T03:28:16,120   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monA_NBC10.xyz'
2025-06-01T03:28:16,121   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/228_MeMe-3p2_monB_NBC10.xyz'
2025-06-01T03:28:16,122   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/229_MeMe-3p3_dim_NBC10.xyz'
2025-06-01T03:28:16,123   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/230_MeMe-3p4_dim_NBC10.xyz'
2025-06-01T03:28:16,124   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/231_MeMe-3p5_dim_NBC10.xyz'
2025-06-01T03:28:16,125   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/232_MeMe-3p6_dim_NBC10.xyz'
2025-06-01T03:28:16,126   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/233_MeMe-3p7_dim_NBC10.xyz'
2025-06-01T03:28:16,127   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/234_MeMe-3p8_dim_NBC10.xyz'
2025-06-01T03:28:16,128   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/235_MeMe-3p9_dim_NBC10.xyz'
2025-06-01T03:28:16,129   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/236_MeMe-4p0_dim_NBC10.xyz'
2025-06-01T03:28:16,131   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/237_MeMe-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,132   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/238_MeMe-4p2_dim_NBC10.xyz'
2025-06-01T03:28:16,133   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/239_MeMe-4p3_dim_NBC10.xyz'
2025-06-01T03:28:16,134   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/240_MeMe-4p4_dim_NBC10.xyz'
2025-06-01T03:28:16,135   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/241_MeMe-4p6_dim_NBC10.xyz'
2025-06-01T03:28:16,136   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/242_MeMe-4p8_dim_NBC10.xyz'
2025-06-01T03:28:16,137   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/243_MeMe-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,138   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/244_MeMe-5p4_dim_NBC10.xyz'
2025-06-01T03:28:16,139   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/245_MeMe-5p8_dim_NBC10.xyz'
2025-06-01T03:28:16,141   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_dim_NBC10.xyz'
2025-06-01T03:28:16,142   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monA_NBC10.xyz'
2025-06-01T03:28:16,143   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/246_PyPy_S2-3p1_monB_NBC10.xyz'
2025-06-01T03:28:16,144   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/247_PyPy_S2-3p3_dim_NBC10.xyz'
2025-06-01T03:28:16,145   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/248_PyPy_S2-3p4_dim_NBC10.xyz'
2025-06-01T03:28:16,146   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/249_PyPy_S2-3p5_dim_NBC10.xyz'
2025-06-01T03:28:16,147   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/250_PyPy_S2-3p6_dim_NBC10.xyz'
2025-06-01T03:28:16,149   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/251_PyPy_S2-3p7_dim_NBC10.xyz'
2025-06-01T03:28:16,150   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/252_PyPy_S2-3p8_dim_NBC10.xyz'
2025-06-01T03:28:16,151   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/253_PyPy_S2-3p9_dim_NBC10.xyz'
2025-06-01T03:28:16,152   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/254_PyPy_S2-4p0_dim_NBC10.xyz'
2025-06-01T03:28:16,153   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/255_PyPy_S2-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,154   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/256_PyPy_S2-4p2_dim_NBC10.xyz'
2025-06-01T03:28:16,155   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/257_PyPy_S2-4p3_dim_NBC10.xyz'
2025-06-01T03:28:16,157   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/258_PyPy_S2-4p4_dim_NBC10.xyz'
2025-06-01T03:28:16,158   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/259_PyPy_S2-4p5_dim_NBC10.xyz'
2025-06-01T03:28:16,159   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/260_PyPy_S2-4p7_dim_NBC10.xyz'
2025-06-01T03:28:16,160   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/261_PyPy_S2-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,162   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/262_PyPy_S2-5p5_dim_NBC10.xyz'
2025-06-01T03:28:16,163   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/263_PyPy_S2-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,164   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/264_PyPy_S2-6p5_dim_NBC10.xyz'
2025-06-01T03:28:16,165   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/265_PyPy_S2-7p0_dim_NBC10.xyz'
2025-06-01T03:28:16,166   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_dim_NBC10.xyz'
2025-06-01T03:28:16,168   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monA_NBC10.xyz'
2025-06-01T03:28:16,169   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/266_PyPy_T3-4p1_monB_NBC10.xyz'
2025-06-01T03:28:16,170   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/267_PyPy_T3-4p3_dim_NBC10.xyz'
2025-06-01T03:28:16,171   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/268_PyPy_T3-4p5_dim_NBC10.xyz'
2025-06-01T03:28:16,172   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/269_PyPy_T3-4p6_dim_NBC10.xyz'
2025-06-01T03:28:16,173   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/270_PyPy_T3-4p7_dim_NBC10.xyz'
2025-06-01T03:28:16,174   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/271_PyPy_T3-4p8_dim_NBC10.xyz'
2025-06-01T03:28:16,175   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/272_PyPy_T3-4p9_dim_NBC10.xyz'
2025-06-01T03:28:16,176   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/273_PyPy_T3-5p0_dim_NBC10.xyz'
2025-06-01T03:28:16,177   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/274_PyPy_T3-5p1_dim_NBC10.xyz'
2025-06-01T03:28:16,178   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/275_PyPy_T3-5p2_dim_NBC10.xyz'
2025-06-01T03:28:16,180   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/276_PyPy_T3-5p3_dim_NBC10.xyz'
2025-06-01T03:28:16,181   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/277_PyPy_T3-5p4_dim_NBC10.xyz'
2025-06-01T03:28:16,182   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/278_PyPy_T3-5p5_dim_NBC10.xyz'
2025-06-01T03:28:16,183   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/279_PyPy_T3-5p7_dim_NBC10.xyz'
2025-06-01T03:28:16,184   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/280_PyPy_T3-6p0_dim_NBC10.xyz'
2025-06-01T03:28:16,185   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/281_PyPy_T3-6p5_dim_NBC10.xyz'
2025-06-01T03:28:16,186   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/282_PyPy_T3-7p0_dim_NBC10.xyz'
2025-06-01T03:28:16,187   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/283_PyPy_T3-8p0_dim_NBC10.xyz'
2025-06-01T03:28:16,188   adding 'xcbm/MGCDB84_Dataset/Geometries/NBC10/284_PyPy_T3-9p0_dim_NBC10.xyz'
2025-06-01T03:28:16,190   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/11_BCl3_NBPRC.xyz'
2025-06-01T03:28:16,191   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/12_BCl3PMe3_NBPRC.xyz'
2025-06-01T03:28:16,193   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/13_BF3_NBPRC.xyz'
2025-06-01T03:28:16,194   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/14_BF3PMe3_NBPRC.xyz'
2025-06-01T03:28:16,195   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/15_bh3_lower_NBPRC.xyz'
2025-06-01T03:28:16,196   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/16_BH3PH3_NBPRC.xyz'
2025-06-01T03:28:16,197   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/17_BH3_upper_NBPRC.xyz'
2025-06-01T03:28:16,198   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/18_bz_NBPRC.xyz'
2025-06-01T03:28:16,200   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/19_cbut_NBPRC.xyz'
2025-06-01T03:28:16,201   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/20_ch_NBPRC.xyz'
2025-06-01T03:28:16,202   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/21_h2_lower_NBPRC.xyz'
2025-06-01T03:28:16,203   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/22_H2_upper_NBPRC.xyz'
2025-06-01T03:28:16,204   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/23_K_Cl_NBPRC.xyz'
2025-06-01T03:28:16,205   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/24_K_F_NBPRC.xyz'
2025-06-01T03:28:16,206   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/25_K_H_NBPRC.xyz'
2025-06-01T03:28:16,208   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/26_nh2-bh2_NBPRC.xyz'
2025-06-01T03:28:16,209   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/27_nh3_NBPRC.xyz'
2025-06-01T03:28:16,210   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/28_nh3-bh3_NBPRC.xyz'
2025-06-01T03:28:16,211   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/29_nh-bh_NBPRC.xyz'
2025-06-01T03:28:16,212   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/30_PH3_NBPRC.xyz'
2025-06-01T03:28:16,214   adding 'xcbm/MGCDB84_Dataset/Geometries/NBPRC/31_PMe3_NBPRC.xyz'
2025-06-01T03:28:16,216   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_dim_NC15.xyz'
2025-06-01T03:28:16,217   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monA_NC15.xyz'
2025-06-01T03:28:16,218   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/11_Ar-Ar_monB_NC15.xyz'
2025-06-01T03:28:16,219   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_dim_NC15.xyz'
2025-06-01T03:28:16,220   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monA_NC15.xyz'
2025-06-01T03:28:16,221   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/12_Ar-HF_monB_NC15.xyz'
2025-06-01T03:28:16,222   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_dim_NC15.xyz'
2025-06-01T03:28:16,223   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monA_NC15.xyz'
2025-06-01T03:28:16,224   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/13_C3-He_monB_NC15.xyz'
2025-06-01T03:28:16,225   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_dim_NC15.xyz'
2025-06-01T03:28:16,226   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monA_NC15.xyz'
2025-06-01T03:28:16,227   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/14_H2-CO_monB_NC15.xyz'
2025-06-01T03:28:16,228   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_dim_NC15.xyz'
2025-06-01T03:28:16,229   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monA_NC15.xyz'
2025-06-01T03:28:16,230   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/15_H2-H2_monB_NC15.xyz'
2025-06-01T03:28:16,231   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_dim_NC15.xyz'
2025-06-01T03:28:16,232   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monA_NC15.xyz'
2025-06-01T03:28:16,233   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/16_H2-HCl_monB_NC15.xyz'
2025-06-01T03:28:16,234   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_dim_NC15.xyz'
2025-06-01T03:28:16,235   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monA_NC15.xyz'
2025-06-01T03:28:16,236   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/17_H2-HF_monB_NC15.xyz'
2025-06-01T03:28:16,237   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_dim_NC15.xyz'
2025-06-01T03:28:16,238   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monA_NC15.xyz'
2025-06-01T03:28:16,240   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/18_H2O-H2O_C2v_monB_NC15.xyz'
2025-06-01T03:28:16,241   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_dim_NC15.xyz'
2025-06-01T03:28:16,242   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monA_NC15.xyz'
2025-06-01T03:28:16,243   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/19_He-H2_monB_NC15.xyz'
2025-06-01T03:28:16,244   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_dim_NC15.xyz'
2025-06-01T03:28:16,245   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monA_NC15.xyz'
2025-06-01T03:28:16,246   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/20_He-He_monB_NC15.xyz'
2025-06-01T03:28:16,247   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_dim_NC15.xyz'
2025-06-01T03:28:16,248   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monA_NC15.xyz'
2025-06-01T03:28:16,249   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/21_He-LiH_monB_NC15.xyz'
2025-06-01T03:28:16,251   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_dim_NC15.xyz'
2025-06-01T03:28:16,252   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monA_NC15.xyz'
2025-06-01T03:28:16,253   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/22_N2-N2_D2h_monB_NC15.xyz'
2025-06-01T03:28:16,254   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_dim_NC15.xyz'
2025-06-01T03:28:16,255   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monA_NC15.xyz'
2025-06-01T03:28:16,256   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/23_N2-N2_monB_NC15.xyz'
2025-06-01T03:28:16,257   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_dim_NC15.xyz'
2025-06-01T03:28:16,258   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monA_NC15.xyz'
2025-06-01T03:28:16,260   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/24_Ne-HF_monB_NC15.xyz'
2025-06-01T03:28:16,261   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_dim_NC15.xyz'
2025-06-01T03:28:16,262   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monA_NC15.xyz'
2025-06-01T03:28:16,263   adding 'xcbm/MGCDB84_Dataset/Geometries/NC15/25_Ne-Ne_monB_NC15.xyz'
2025-06-01T03:28:16,265   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/11_c2h4_BH76.xyz'
2025-06-01T03:28:16,266   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/12_c2h5_lower_BH76.xyz'
2025-06-01T03:28:16,267   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/13_c2h5ts_BH76.xyz'
2025-06-01T03:28:16,268   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/16_c3h7_BH76.xyz'
2025-06-01T03:28:16,269   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/17_c3h7ts_BH76.xyz'
2025-06-01T03:28:16,270   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/19_ch3cl_BH76.xyz'
2025-06-01T03:28:16,272   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/20_ch3f_BH76.xyz'
2025-06-01T03:28:16,273   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/21_ch3fclts_BH76.xyz'
2025-06-01T03:28:16,274   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/22_ch3_lower_BH76.xyz'
2025-06-01T03:28:16,275   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/23_ch3oh_lower_BH76.xyz'
2025-06-01T03:28:16,276   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/26_cl-_BH76.xyz'
2025-06-01T03:28:16,277   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/27_clch3clcomp_BH76.xyz'
2025-06-01T03:28:16,278   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/28_clch3clts_BH76.xyz'
2025-06-01T03:28:16,279   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/29_clf_BH76.xyz'
2025-06-01T03:28:16,280   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/30_cl_lower_BH76.xyz'
2025-06-01T03:28:16,282   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/32_co_BH76.xyz'
2025-06-01T03:28:16,283   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/33_f-_BH76.xyz'
2025-06-01T03:28:16,284   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/34_f2_BH76.xyz'
2025-06-01T03:28:16,285   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/35_fch3clcomp1_BH76.xyz'
2025-06-01T03:28:16,286   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/36_fch3clcomp2_BH76.xyz'
2025-06-01T03:28:16,287   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/37_fch3clts_BH76.xyz'
2025-06-01T03:28:16,288   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/38_fch3fcomp_BH76.xyz'
2025-06-01T03:28:16,289   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/39_fch3fts_BH76.xyz'
2025-06-01T03:28:16,290   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/40_f_lower_BH76.xyz'
2025-06-01T03:28:16,292   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/45_hclhts_BH76.xyz'
2025-06-01T03:28:16,293   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/46_hcl_lower_BH76.xyz'
2025-06-01T03:28:16,294   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/48_hcn_BH76.xyz'
2025-06-01T03:28:16,295   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/49_hcnts_BH76.xyz'
2025-06-01T03:28:16,296   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/50_hco_BH76.xyz'
2025-06-01T03:28:16,297   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/51_hcots_BH76.xyz'
2025-06-01T03:28:16,298   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/52_hf2ts_BH76.xyz'
2025-06-01T03:28:16,299   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/53_hfch3ts_BH76.xyz'
2025-06-01T03:28:16,301   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/54_hfhts_BH76.xyz'
2025-06-01T03:28:16,302   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/55_hf_lower_BH76.xyz'
2025-06-01T03:28:16,303   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/57_h_lower_BH76.xyz'
2025-06-01T03:28:16,304   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/58_hn2_BH76.xyz'
2025-06-01T03:28:16,305   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/59_hn2ts_BH76.xyz'
2025-06-01T03:28:16,306   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/60_hnc_BH76.xyz'
2025-06-01T03:28:16,307   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/61_hoch3fcomp1_BH76.xyz'
2025-06-01T03:28:16,309   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/62_hoch3fcomp2_BH76.xyz'
2025-06-01T03:28:16,310   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/63_hoch3fts_BH76.xyz'
2025-06-01T03:28:16,311   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/66_n2_BH76.xyz'
2025-06-01T03:28:16,312   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/67_n2o_BH76.xyz'
2025-06-01T03:28:16,313   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/68_n2ohts_BH76.xyz'
2025-06-01T03:28:16,314   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/73_oh-_BH76.xyz'
2025-06-01T03:28:16,315   adding 'xcbm/MGCDB84_Dataset/Geometries/NHTBH38/74_oh_lower_BH76.xyz'
2025-06-01T03:28:16,317   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/11_NH3_CEPX33.xyz'
2025-06-01T03:28:16,318   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/19_2NH3-TS_CEPX33.xyz'
2025-06-01T03:28:16,319   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/20_3NH3-TS_CEPX33.xyz'
2025-06-01T03:28:16,320   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/21_4NH3-TS_CEPX33.xyz'
2025-06-01T03:28:16,321   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/22_H2O_CEPX33.xyz'
2025-06-01T03:28:16,322   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/31_2H2O-TS_CEPX33.xyz'
2025-06-01T03:28:16,323   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/32_3H2O-TS_CEPX33.xyz'
2025-06-01T03:28:16,325   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/33_4H2O-TS_CEPX33.xyz'
2025-06-01T03:28:16,326   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/34_5H2O-TS_CEPX33.xyz'
2025-06-01T03:28:16,327   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/35_6H2O-TS_CEPX33.xyz'
2025-06-01T03:28:16,328   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/36_HF_CEPX33.xyz'
2025-06-01T03:28:16,329   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/42_2HF-TS_CEPX33.xyz'
2025-06-01T03:28:16,331   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/43_3HF-TS_CEPX33.xyz'
2025-06-01T03:28:16,332   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/44_4HF-TS_CEPX33.xyz'
2025-06-01T03:28:16,333   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/45_5HF-TS_CEPX33.xyz'
2025-06-01T03:28:16,334   adding 'xcbm/MGCDB84_Dataset/Geometries/PX13/46_6HF-TS_CEPX33.xyz'
2025-06-01T03:28:16,336   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/11_000-000-SP_Pentane14.xyz'
2025-06-01T03:28:16,337   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/12_080-000-TS_Pentane14.xyz'
2025-06-01T03:28:16,338   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/13_120-000-SP_Pentane14.xyz'
2025-06-01T03:28:16,339   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/14_120-070-TS_Pentane14.xyz'
2025-06-01T03:28:16,340   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/15_120-120-SP_Pentane14.xyz'
2025-06-01T03:28:16,342   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/16_180-000-TS_Pentane14.xyz'
2025-06-01T03:28:16,343   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/17_240-070-TS_Pentane14.xyz'
2025-06-01T03:28:16,344   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/18_240-120-SP_Pentane14.xyz'
2025-06-01T03:28:16,345   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/19_240-180-TS_Pentane14.xyz'
2025-06-01T03:28:16,346   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/20_280-080-TS_Pentane14.xyz'
2025-06-01T03:28:16,347   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/21_GG_Pentane14.xyz'
2025-06-01T03:28:16,349   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/22_GX-_Pentane14.xyz'
2025-06-01T03:28:16,350   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/23_TG_Pentane14.xyz'
2025-06-01T03:28:16,351   adding 'xcbm/MGCDB84_Dataset/Geometries/Pentane14/24_TT_Pentane14.xyz'
2025-06-01T03:28:16,353   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/11_C4H4_Platonic24.xyz'
2025-06-01T03:28:16,354   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/12_C6H6_Platonic24.xyz'
2025-06-01T03:28:16,355   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/13_C8H8_Platonic24.xyz'
2025-06-01T03:28:16,357   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/14_C10H10_Platonic24.xyz'
2025-06-01T03:28:16,358   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/15_C12H12_Platonic24.xyz'
2025-06-01T03:28:16,359   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/16_C20H20_Platonic24.xyz'
2025-06-01T03:28:16,360   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/21_C2H6_Platonic24.xyz'
2025-06-01T03:28:16,361   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicHD6/platonicHD6/22_C4H10_Platonic24.xyz'
2025-06-01T03:28:16,363   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/11_C4H4_Platonic24.xyz'
2025-06-01T03:28:16,364   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/12_C6H6_Platonic24.xyz'
2025-06-01T03:28:16,365   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/13_C8H8_Platonic24.xyz'
2025-06-01T03:28:16,366   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/14_C10H10_Platonic24.xyz'
2025-06-01T03:28:16,367   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/15_C12H12_Platonic24.xyz'
2025-06-01T03:28:16,369   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/16_C20H20_Platonic24.xyz'
2025-06-01T03:28:16,370   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/19_H2_Platonic24.xyz'
2025-06-01T03:28:16,371   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicIG6/20_CH4_Platonic24.xyz'
2025-06-01T03:28:16,373   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/11_C4H4_Platonic24.xyz'
2025-06-01T03:28:16,374   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/12_C6H6_Platonic24.xyz'
2025-06-01T03:28:16,375   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/13_C8H8_Platonic24.xyz'
2025-06-01T03:28:16,376   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/14_C10H10_Platonic24.xyz'
2025-06-01T03:28:16,377   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/15_C12H12_Platonic24.xyz'
2025-06-01T03:28:16,378   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/16_C20H20_Platonic24.xyz'
2025-06-01T03:28:16,380   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/17_H_Platonic24.xyz'
2025-06-01T03:28:16,381   adding 'xcbm/MGCDB84_Dataset/Geometries/PlatonicTAE6/18_C_Platonic24.xyz'
2025-06-01T03:28:16,391   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p0_RG10.xyz'
2025-06-01T03:28:16,392   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p1_RG10.xyz'
2025-06-01T03:28:16,394   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p2_RG10.xyz'
2025-06-01T03:28:16,395   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p3_RG10.xyz'
2025-06-01T03:28:16,396   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p4_RG10.xyz'
2025-06-01T03:28:16,397   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p5_RG10.xyz'
2025-06-01T03:28:16,398   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p6_RG10.xyz'
2025-06-01T03:28:16,399   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p7_RG10.xyz'
2025-06-01T03:28:16,400   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p8_RG10.xyz'
2025-06-01T03:28:16,402   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_2p9_RG10.xyz'
2025-06-01T03:28:16,403   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p0_RG10.xyz'
2025-06-01T03:28:16,404   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p1_RG10.xyz'
2025-06-01T03:28:16,405   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p2_RG10.xyz'
2025-06-01T03:28:16,406   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p3_RG10.xyz'
2025-06-01T03:28:16,407   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p4_RG10.xyz'
2025-06-01T03:28:16,408   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p5_RG10.xyz'
2025-06-01T03:28:16,409   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p6_RG10.xyz'
2025-06-01T03:28:16,411   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p7_RG10.xyz'
2025-06-01T03:28:16,412   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p8_RG10.xyz'
2025-06-01T03:28:16,413   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_3p9_RG10.xyz'
2025-06-01T03:28:16,414   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p0_RG10.xyz'
2025-06-01T03:28:16,415   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p1_RG10.xyz'
2025-06-01T03:28:16,416   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p2_RG10.xyz'
2025-06-01T03:28:16,417   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p3_RG10.xyz'
2025-06-01T03:28:16,418   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p4_RG10.xyz'
2025-06-01T03:28:16,419   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p5_RG10.xyz'
2025-06-01T03:28:16,420   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p6_RG10.xyz'
2025-06-01T03:28:16,421   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p7_RG10.xyz'
2025-06-01T03:28:16,422   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p8_RG10.xyz'
2025-06-01T03:28:16,423   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_4p9_RG10.xyz'
2025-06-01T03:28:16,424   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p0_RG10.xyz'
2025-06-01T03:28:16,426   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p1_RG10.xyz'
2025-06-01T03:28:16,427   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p2_RG10.xyz'
2025-06-01T03:28:16,428   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p3_RG10.xyz'
2025-06-01T03:28:16,429   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p4_RG10.xyz'
2025-06-01T03:28:16,430   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p5_RG10.xyz'
2025-06-01T03:28:16,431   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p6_RG10.xyz'
2025-06-01T03:28:16,432   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p7_RG10.xyz'
2025-06-01T03:28:16,433   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p8_RG10.xyz'
2025-06-01T03:28:16,434   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_5p9_RG10.xyz'
2025-06-01T03:28:16,435   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p0_RG10.xyz'
2025-06-01T03:28:16,436   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p1_RG10.xyz'
2025-06-01T03:28:16,437   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p2_RG10.xyz'
2025-06-01T03:28:16,439   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p3_RG10.xyz'
2025-06-01T03:28:16,440   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p4_RG10.xyz'
2025-06-01T03:28:16,441   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p5_RG10.xyz'
2025-06-01T03:28:16,442   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p6_RG10.xyz'
2025-06-01T03:28:16,443   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p7_RG10.xyz'
2025-06-01T03:28:16,444   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p8_RG10.xyz'
2025-06-01T03:28:16,445   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_6p9_RG10.xyz'
2025-06-01T03:28:16,446   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p0_RG10.xyz'
2025-06-01T03:28:16,447   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p1_RG10.xyz'
2025-06-01T03:28:16,448   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p2_RG10.xyz'
2025-06-01T03:28:16,449   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p3_RG10.xyz'
2025-06-01T03:28:16,450   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p4_RG10.xyz'
2025-06-01T03:28:16,451   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p5_RG10.xyz'
2025-06-01T03:28:16,453   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p6_RG10.xyz'
2025-06-01T03:28:16,454   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p7_RG10.xyz'
2025-06-01T03:28:16,455   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p8_RG10.xyz'
2025-06-01T03:28:16,456   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_7p9_RG10.xyz'
2025-06-01T03:28:16,457   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_HeHe_8p0_RG10.xyz'
2025-06-01T03:28:16,458   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/11_He_RG10.xyz'
2025-06-01T03:28:16,459   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p0_RG10.xyz'
2025-06-01T03:28:16,460   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p1_RG10.xyz'
2025-06-01T03:28:16,461   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p2_RG10.xyz'
2025-06-01T03:28:16,462   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p3_RG10.xyz'
2025-06-01T03:28:16,464   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p4_RG10.xyz'
2025-06-01T03:28:16,465   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p5_RG10.xyz'
2025-06-01T03:28:16,466   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p6_RG10.xyz'
2025-06-01T03:28:16,467   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p7_RG10.xyz'
2025-06-01T03:28:16,468   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p8_RG10.xyz'
2025-06-01T03:28:16,469   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_2p9_RG10.xyz'
2025-06-01T03:28:16,470   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p0_RG10.xyz'
2025-06-01T03:28:16,471   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p1_RG10.xyz'
2025-06-01T03:28:16,472   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p2_RG10.xyz'
2025-06-01T03:28:16,473   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p3_RG10.xyz'
2025-06-01T03:28:16,474   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p4_RG10.xyz'
2025-06-01T03:28:16,475   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p5_RG10.xyz'
2025-06-01T03:28:16,477   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p6_RG10.xyz'
2025-06-01T03:28:16,478   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p7_RG10.xyz'
2025-06-01T03:28:16,479   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p8_RG10.xyz'
2025-06-01T03:28:16,480   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_3p9_RG10.xyz'
2025-06-01T03:28:16,481   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p0_RG10.xyz'
2025-06-01T03:28:16,482   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p1_RG10.xyz'
2025-06-01T03:28:16,483   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p2_RG10.xyz'
2025-06-01T03:28:16,484   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p3_RG10.xyz'
2025-06-01T03:28:16,485   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p4_RG10.xyz'
2025-06-01T03:28:16,486   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p5_RG10.xyz'
2025-06-01T03:28:16,487   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p6_RG10.xyz'
2025-06-01T03:28:16,488   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p7_RG10.xyz'
2025-06-01T03:28:16,490   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p8_RG10.xyz'
2025-06-01T03:28:16,491   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_4p9_RG10.xyz'
2025-06-01T03:28:16,492   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p0_RG10.xyz'
2025-06-01T03:28:16,493   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p1_RG10.xyz'
2025-06-01T03:28:16,494   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p2_RG10.xyz'
2025-06-01T03:28:16,495   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p3_RG10.xyz'
2025-06-01T03:28:16,496   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p4_RG10.xyz'
2025-06-01T03:28:16,497   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p5_RG10.xyz'
2025-06-01T03:28:16,498   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p6_RG10.xyz'
2025-06-01T03:28:16,499   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p7_RG10.xyz'
2025-06-01T03:28:16,501   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p8_RG10.xyz'
2025-06-01T03:28:16,502   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_5p9_RG10.xyz'
2025-06-01T03:28:16,503   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p0_RG10.xyz'
2025-06-01T03:28:16,504   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p1_RG10.xyz'
2025-06-01T03:28:16,505   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p2_RG10.xyz'
2025-06-01T03:28:16,506   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p3_RG10.xyz'
2025-06-01T03:28:16,507   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p4_RG10.xyz'
2025-06-01T03:28:16,509   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p5_RG10.xyz'
2025-06-01T03:28:16,510   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p6_RG10.xyz'
2025-06-01T03:28:16,511   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p7_RG10.xyz'
2025-06-01T03:28:16,512   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p8_RG10.xyz'
2025-06-01T03:28:16,513   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_6p9_RG10.xyz'
2025-06-01T03:28:16,514   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p0_RG10.xyz'
2025-06-01T03:28:16,515   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p1_RG10.xyz'
2025-06-01T03:28:16,516   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p2_RG10.xyz'
2025-06-01T03:28:16,517   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p3_RG10.xyz'
2025-06-01T03:28:16,518   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p4_RG10.xyz'
2025-06-01T03:28:16,519   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p5_RG10.xyz'
2025-06-01T03:28:16,520   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p6_RG10.xyz'
2025-06-01T03:28:16,522   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p7_RG10.xyz'
2025-06-01T03:28:16,523   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p8_RG10.xyz'
2025-06-01T03:28:16,524   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_7p9_RG10.xyz'
2025-06-01T03:28:16,525   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_HeNe_8p0_RG10.xyz'
2025-06-01T03:28:16,526   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/12_Ne_RG10.xyz'
2025-06-01T03:28:16,527   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_Ar_RG10.xyz'
2025-06-01T03:28:16,528   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p2_RG10.xyz'
2025-06-01T03:28:16,529   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p3_RG10.xyz'
2025-06-01T03:28:16,530   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p4_RG10.xyz'
2025-06-01T03:28:16,531   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p5_RG10.xyz'
2025-06-01T03:28:16,532   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p6_RG10.xyz'
2025-06-01T03:28:16,533   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p7_RG10.xyz'
2025-06-01T03:28:16,534   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p8_RG10.xyz'
2025-06-01T03:28:16,535   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_2p9_RG10.xyz'
2025-06-01T03:28:16,537   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p0_RG10.xyz'
2025-06-01T03:28:16,538   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p1_RG10.xyz'
2025-06-01T03:28:16,539   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p2_RG10.xyz'
2025-06-01T03:28:16,540   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p3_RG10.xyz'
2025-06-01T03:28:16,541   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p4_RG10.xyz'
2025-06-01T03:28:16,542   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p5_RG10.xyz'
2025-06-01T03:28:16,543   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p6_RG10.xyz'
2025-06-01T03:28:16,544   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p7_RG10.xyz'
2025-06-01T03:28:16,545   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p8_RG10.xyz'
2025-06-01T03:28:16,546   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_3p9_RG10.xyz'
2025-06-01T03:28:16,548   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p0_RG10.xyz'
2025-06-01T03:28:16,549   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p1_RG10.xyz'
2025-06-01T03:28:16,550   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p2_RG10.xyz'
2025-06-01T03:28:16,551   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p3_RG10.xyz'
2025-06-01T03:28:16,552   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p4_RG10.xyz'
2025-06-01T03:28:16,553   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p5_RG10.xyz'
2025-06-01T03:28:16,554   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p6_RG10.xyz'
2025-06-01T03:28:16,556   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p7_RG10.xyz'
2025-06-01T03:28:16,557   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p8_RG10.xyz'
2025-06-01T03:28:16,558   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_4p9_RG10.xyz'
2025-06-01T03:28:16,559   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p0_RG10.xyz'
2025-06-01T03:28:16,560   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p1_RG10.xyz'
2025-06-01T03:28:16,561   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p2_RG10.xyz'
2025-06-01T03:28:16,562   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p3_RG10.xyz'
2025-06-01T03:28:16,563   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p4_RG10.xyz'
2025-06-01T03:28:16,564   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p5_RG10.xyz'
2025-06-01T03:28:16,566   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p6_RG10.xyz'
2025-06-01T03:28:16,566   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p7_RG10.xyz'
2025-06-01T03:28:16,568   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p8_RG10.xyz'
2025-06-01T03:28:16,569   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_5p9_RG10.xyz'
2025-06-01T03:28:16,570   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p0_RG10.xyz'
2025-06-01T03:28:16,571   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p1_RG10.xyz'
2025-06-01T03:28:16,572   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p2_RG10.xyz'
2025-06-01T03:28:16,573   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p3_RG10.xyz'
2025-06-01T03:28:16,574   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p4_RG10.xyz'
2025-06-01T03:28:16,575   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p5_RG10.xyz'
2025-06-01T03:28:16,576   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p6_RG10.xyz'
2025-06-01T03:28:16,577   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p7_RG10.xyz'
2025-06-01T03:28:16,578   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p8_RG10.xyz'
2025-06-01T03:28:16,580   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_6p9_RG10.xyz'
2025-06-01T03:28:16,581   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p0_RG10.xyz'
2025-06-01T03:28:16,582   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p1_RG10.xyz'
2025-06-01T03:28:16,583   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p2_RG10.xyz'
2025-06-01T03:28:16,584   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p3_RG10.xyz'
2025-06-01T03:28:16,585   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p4_RG10.xyz'
2025-06-01T03:28:16,586   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p5_RG10.xyz'
2025-06-01T03:28:16,587   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p6_RG10.xyz'
2025-06-01T03:28:16,588   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p7_RG10.xyz'
2025-06-01T03:28:16,589   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p8_RG10.xyz'
2025-06-01T03:28:16,591   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_7p9_RG10.xyz'
2025-06-01T03:28:16,592   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/13_HeAr_8p0_RG10.xyz'
2025-06-01T03:28:16,593   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p3_RG10.xyz'
2025-06-01T03:28:16,594   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p4_RG10.xyz'
2025-06-01T03:28:16,595   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p5_RG10.xyz'
2025-06-01T03:28:16,596   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p6_RG10.xyz'
2025-06-01T03:28:16,597   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p7_RG10.xyz'
2025-06-01T03:28:16,599   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p8_RG10.xyz'
2025-06-01T03:28:16,600   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_2p9_RG10.xyz'
2025-06-01T03:28:16,601   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p0_RG10.xyz'
2025-06-01T03:28:16,602   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p1_RG10.xyz'
2025-06-01T03:28:16,603   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p2_RG10.xyz'
2025-06-01T03:28:16,604   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p3_RG10.xyz'
2025-06-01T03:28:16,605   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p4_RG10.xyz'
2025-06-01T03:28:16,606   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p5_RG10.xyz'
2025-06-01T03:28:16,607   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p6_RG10.xyz'
2025-06-01T03:28:16,608   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p7_RG10.xyz'
2025-06-01T03:28:16,610   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p8_RG10.xyz'
2025-06-01T03:28:16,611   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_3p9_RG10.xyz'
2025-06-01T03:28:16,612   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p0_RG10.xyz'
2025-06-01T03:28:16,613   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p1_RG10.xyz'
2025-06-01T03:28:16,614   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p2_RG10.xyz'
2025-06-01T03:28:16,615   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p3_RG10.xyz'
2025-06-01T03:28:16,616   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p4_RG10.xyz'
2025-06-01T03:28:16,617   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p5_RG10.xyz'
2025-06-01T03:28:16,618   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p6_RG10.xyz'
2025-06-01T03:28:16,619   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p7_RG10.xyz'
2025-06-01T03:28:16,620   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p8_RG10.xyz'
2025-06-01T03:28:16,621   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_4p9_RG10.xyz'
2025-06-01T03:28:16,622   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p0_RG10.xyz'
2025-06-01T03:28:16,624   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p1_RG10.xyz'
2025-06-01T03:28:16,625   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p2_RG10.xyz'
2025-06-01T03:28:16,626   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p3_RG10.xyz'
2025-06-01T03:28:16,627   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p4_RG10.xyz'
2025-06-01T03:28:16,628   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p5_RG10.xyz'
2025-06-01T03:28:16,629   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p6_RG10.xyz'
2025-06-01T03:28:16,630   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p7_RG10.xyz'
2025-06-01T03:28:16,631   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p8_RG10.xyz'
2025-06-01T03:28:16,632   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_5p9_RG10.xyz'
2025-06-01T03:28:16,634   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p0_RG10.xyz'
2025-06-01T03:28:16,635   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p1_RG10.xyz'
2025-06-01T03:28:16,636   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p2_RG10.xyz'
2025-06-01T03:28:16,637   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p3_RG10.xyz'
2025-06-01T03:28:16,638   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p4_RG10.xyz'
2025-06-01T03:28:16,639   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p5_RG10.xyz'
2025-06-01T03:28:16,640   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p6_RG10.xyz'
2025-06-01T03:28:16,641   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p7_RG10.xyz'
2025-06-01T03:28:16,643   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p8_RG10.xyz'
2025-06-01T03:28:16,644   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_6p9_RG10.xyz'
2025-06-01T03:28:16,645   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p0_RG10.xyz'
2025-06-01T03:28:16,646   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p1_RG10.xyz'
2025-06-01T03:28:16,647   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p2_RG10.xyz'
2025-06-01T03:28:16,648   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p3_RG10.xyz'
2025-06-01T03:28:16,649   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p4_RG10.xyz'
2025-06-01T03:28:16,650   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p5_RG10.xyz'
2025-06-01T03:28:16,652   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p6_RG10.xyz'
2025-06-01T03:28:16,653   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p7_RG10.xyz'
2025-06-01T03:28:16,654   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p8_RG10.xyz'
2025-06-01T03:28:16,655   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_7p9_RG10.xyz'
2025-06-01T03:28:16,656   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_HeKr_8p0_RG10.xyz'
2025-06-01T03:28:16,657   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/14_Kr_RG10.xyz'
2025-06-01T03:28:16,658   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p0_RG10.xyz'
2025-06-01T03:28:16,659   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p1_RG10.xyz'
2025-06-01T03:28:16,660   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p2_RG10.xyz'
2025-06-01T03:28:16,661   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p3_RG10.xyz'
2025-06-01T03:28:16,662   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p4_RG10.xyz'
2025-06-01T03:28:16,663   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p5_RG10.xyz'
2025-06-01T03:28:16,664   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p6_RG10.xyz'
2025-06-01T03:28:16,665   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p7_RG10.xyz'
2025-06-01T03:28:16,666   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p8_RG10.xyz'
2025-06-01T03:28:16,667   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_2p9_RG10.xyz'
2025-06-01T03:28:16,668   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p0_RG10.xyz'
2025-06-01T03:28:16,670   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p1_RG10.xyz'
2025-06-01T03:28:16,671   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p2_RG10.xyz'
2025-06-01T03:28:16,672   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p3_RG10.xyz'
2025-06-01T03:28:16,673   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p4_RG10.xyz'
2025-06-01T03:28:16,674   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p5_RG10.xyz'
2025-06-01T03:28:16,675   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p6_RG10.xyz'
2025-06-01T03:28:16,676   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p7_RG10.xyz'
2025-06-01T03:28:16,677   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p8_RG10.xyz'
2025-06-01T03:28:16,678   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_3p9_RG10.xyz'
2025-06-01T03:28:16,679   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p0_RG10.xyz'
2025-06-01T03:28:16,680   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p1_RG10.xyz'
2025-06-01T03:28:16,681   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p2_RG10.xyz'
2025-06-01T03:28:16,683   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p3_RG10.xyz'
2025-06-01T03:28:16,684   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p4_RG10.xyz'
2025-06-01T03:28:16,685   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p5_RG10.xyz'
2025-06-01T03:28:16,686   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p6_RG10.xyz'
2025-06-01T03:28:16,687   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p7_RG10.xyz'
2025-06-01T03:28:16,688   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p8_RG10.xyz'
2025-06-01T03:28:16,689   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_4p9_RG10.xyz'
2025-06-01T03:28:16,690   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p0_RG10.xyz'
2025-06-01T03:28:16,691   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p1_RG10.xyz'
2025-06-01T03:28:16,693   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p2_RG10.xyz'
2025-06-01T03:28:16,694   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p3_RG10.xyz'
2025-06-01T03:28:16,695   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p4_RG10.xyz'
2025-06-01T03:28:16,696   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p5_RG10.xyz'
2025-06-01T03:28:16,697   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p6_RG10.xyz'
2025-06-01T03:28:16,698   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p7_RG10.xyz'
2025-06-01T03:28:16,699   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p8_RG10.xyz'
2025-06-01T03:28:16,700   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_5p9_RG10.xyz'
2025-06-01T03:28:16,702   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p0_RG10.xyz'
2025-06-01T03:28:16,703   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p1_RG10.xyz'
2025-06-01T03:28:16,704   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p2_RG10.xyz'
2025-06-01T03:28:16,705   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p3_RG10.xyz'
2025-06-01T03:28:16,706   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p4_RG10.xyz'
2025-06-01T03:28:16,707   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p5_RG10.xyz'
2025-06-01T03:28:16,708   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p6_RG10.xyz'
2025-06-01T03:28:16,709   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p7_RG10.xyz'
2025-06-01T03:28:16,710   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p8_RG10.xyz'
2025-06-01T03:28:16,711   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_6p9_RG10.xyz'
2025-06-01T03:28:16,712   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p0_RG10.xyz'
2025-06-01T03:28:16,713   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p1_RG10.xyz'
2025-06-01T03:28:16,714   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p2_RG10.xyz'
2025-06-01T03:28:16,715   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p3_RG10.xyz'
2025-06-01T03:28:16,717   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p4_RG10.xyz'
2025-06-01T03:28:16,718   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p5_RG10.xyz'
2025-06-01T03:28:16,719   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p6_RG10.xyz'
2025-06-01T03:28:16,720   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p7_RG10.xyz'
2025-06-01T03:28:16,721   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p8_RG10.xyz'
2025-06-01T03:28:16,722   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_7p9_RG10.xyz'
2025-06-01T03:28:16,723   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/15_NeNe_8p0_RG10.xyz'
2025-06-01T03:28:16,724   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p4_RG10.xyz'
2025-06-01T03:28:16,725   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p5_RG10.xyz'
2025-06-01T03:28:16,726   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p6_RG10.xyz'
2025-06-01T03:28:16,727   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p7_RG10.xyz'
2025-06-01T03:28:16,728   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p8_RG10.xyz'
2025-06-01T03:28:16,729   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_2p9_RG10.xyz'
2025-06-01T03:28:16,731   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p0_RG10.xyz'
2025-06-01T03:28:16,732   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p1_RG10.xyz'
2025-06-01T03:28:16,733   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p2_RG10.xyz'
2025-06-01T03:28:16,734   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p3_RG10.xyz'
2025-06-01T03:28:16,735   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p4_RG10.xyz'
2025-06-01T03:28:16,736   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p5_RG10.xyz'
2025-06-01T03:28:16,737   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p6_RG10.xyz'
2025-06-01T03:28:16,738   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p7_RG10.xyz'
2025-06-01T03:28:16,740   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p8_RG10.xyz'
2025-06-01T03:28:16,741   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_3p9_RG10.xyz'
2025-06-01T03:28:16,742   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p0_RG10.xyz'
2025-06-01T03:28:16,743   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p1_RG10.xyz'
2025-06-01T03:28:16,744   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p2_RG10.xyz'
2025-06-01T03:28:16,745   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p3_RG10.xyz'
2025-06-01T03:28:16,746   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p4_RG10.xyz'
2025-06-01T03:28:16,747   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p5_RG10.xyz'
2025-06-01T03:28:16,749   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p6_RG10.xyz'
2025-06-01T03:28:16,750   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p7_RG10.xyz'
2025-06-01T03:28:16,751   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p8_RG10.xyz'
2025-06-01T03:28:16,752   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_4p9_RG10.xyz'
2025-06-01T03:28:16,753   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p0_RG10.xyz'
2025-06-01T03:28:16,754   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p1_RG10.xyz'
2025-06-01T03:28:16,756   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p2_RG10.xyz'
2025-06-01T03:28:16,757   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p3_RG10.xyz'
2025-06-01T03:28:16,758   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p4_RG10.xyz'
2025-06-01T03:28:16,759   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p5_RG10.xyz'
2025-06-01T03:28:16,760   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p6_RG10.xyz'
2025-06-01T03:28:16,761   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p7_RG10.xyz'
2025-06-01T03:28:16,762   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p8_RG10.xyz'
2025-06-01T03:28:16,763   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_5p9_RG10.xyz'
2025-06-01T03:28:16,764   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p0_RG10.xyz'
2025-06-01T03:28:16,765   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p1_RG10.xyz'
2025-06-01T03:28:16,766   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p2_RG10.xyz'
2025-06-01T03:28:16,767   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p3_RG10.xyz'
2025-06-01T03:28:16,768   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p4_RG10.xyz'
2025-06-01T03:28:16,769   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p5_RG10.xyz'
2025-06-01T03:28:16,770   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p6_RG10.xyz'
2025-06-01T03:28:16,772   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p7_RG10.xyz'
2025-06-01T03:28:16,773   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p8_RG10.xyz'
2025-06-01T03:28:16,774   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_6p9_RG10.xyz'
2025-06-01T03:28:16,775   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p0_RG10.xyz'
2025-06-01T03:28:16,776   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p1_RG10.xyz'
2025-06-01T03:28:16,777   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p2_RG10.xyz'
2025-06-01T03:28:16,778   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p3_RG10.xyz'
2025-06-01T03:28:16,779   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p4_RG10.xyz'
2025-06-01T03:28:16,780   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p5_RG10.xyz'
2025-06-01T03:28:16,781   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p6_RG10.xyz'
2025-06-01T03:28:16,782   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p7_RG10.xyz'
2025-06-01T03:28:16,784   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p8_RG10.xyz'
2025-06-01T03:28:16,785   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_7p9_RG10.xyz'
2025-06-01T03:28:16,786   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/16_NeAr_8p0_RG10.xyz'
2025-06-01T03:28:16,787   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p5_RG10.xyz'
2025-06-01T03:28:16,788   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p6_RG10.xyz'
2025-06-01T03:28:16,789   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p7_RG10.xyz'
2025-06-01T03:28:16,790   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p8_RG10.xyz'
2025-06-01T03:28:16,792   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_2p9_RG10.xyz'
2025-06-01T03:28:16,793   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p0_RG10.xyz'
2025-06-01T03:28:16,794   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p1_RG10.xyz'
2025-06-01T03:28:16,795   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p2_RG10.xyz'
2025-06-01T03:28:16,796   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p3_RG10.xyz'
2025-06-01T03:28:16,797   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p4_RG10.xyz'
2025-06-01T03:28:16,798   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p5_RG10.xyz'
2025-06-01T03:28:16,800   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p6_RG10.xyz'
2025-06-01T03:28:16,801   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p7_RG10.xyz'
2025-06-01T03:28:16,802   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p8_RG10.xyz'
2025-06-01T03:28:16,803   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_3p9_RG10.xyz'
2025-06-01T03:28:16,804   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p0_RG10.xyz'
2025-06-01T03:28:16,805   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p1_RG10.xyz'
2025-06-01T03:28:16,806   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p2_RG10.xyz'
2025-06-01T03:28:16,807   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p3_RG10.xyz'
2025-06-01T03:28:16,809   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p4_RG10.xyz'
2025-06-01T03:28:16,810   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p5_RG10.xyz'
2025-06-01T03:28:16,811   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p6_RG10.xyz'
2025-06-01T03:28:16,812   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p7_RG10.xyz'
2025-06-01T03:28:16,813   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p8_RG10.xyz'
2025-06-01T03:28:16,814   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_4p9_RG10.xyz'
2025-06-01T03:28:16,815   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p0_RG10.xyz'
2025-06-01T03:28:16,816   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p1_RG10.xyz'
2025-06-01T03:28:16,817   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p2_RG10.xyz'
2025-06-01T03:28:16,818   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p3_RG10.xyz'
2025-06-01T03:28:16,819   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p4_RG10.xyz'
2025-06-01T03:28:16,820   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p5_RG10.xyz'
2025-06-01T03:28:16,821   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p6_RG10.xyz'
2025-06-01T03:28:16,822   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p7_RG10.xyz'
2025-06-01T03:28:16,824   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p8_RG10.xyz'
2025-06-01T03:28:16,825   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_5p9_RG10.xyz'
2025-06-01T03:28:16,826   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p0_RG10.xyz'
2025-06-01T03:28:16,827   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p1_RG10.xyz'
2025-06-01T03:28:16,828   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p2_RG10.xyz'
2025-06-01T03:28:16,829   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p3_RG10.xyz'
2025-06-01T03:28:16,830   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p4_RG10.xyz'
2025-06-01T03:28:16,831   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p5_RG10.xyz'
2025-06-01T03:28:16,832   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p6_RG10.xyz'
2025-06-01T03:28:16,834   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p7_RG10.xyz'
2025-06-01T03:28:16,835   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p8_RG10.xyz'
2025-06-01T03:28:16,836   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_6p9_RG10.xyz'
2025-06-01T03:28:16,837   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p0_RG10.xyz'
2025-06-01T03:28:16,838   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p1_RG10.xyz'
2025-06-01T03:28:16,839   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p2_RG10.xyz'
2025-06-01T03:28:16,841   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p3_RG10.xyz'
2025-06-01T03:28:16,842   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p4_RG10.xyz'
2025-06-01T03:28:16,843   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p5_RG10.xyz'
2025-06-01T03:28:16,844   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p6_RG10.xyz'
2025-06-01T03:28:16,845   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p7_RG10.xyz'
2025-06-01T03:28:16,846   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p8_RG10.xyz'
2025-06-01T03:28:16,848   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_7p9_RG10.xyz'
2025-06-01T03:28:16,849   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/17_NeKr_8p0_RG10.xyz'
2025-06-01T03:28:16,850   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p8_RG10.xyz'
2025-06-01T03:28:16,851   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_2p9_RG10.xyz'
2025-06-01T03:28:16,852   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p0_RG10.xyz'
2025-06-01T03:28:16,854   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p1_RG10.xyz'
2025-06-01T03:28:16,855   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p2_RG10.xyz'
2025-06-01T03:28:16,856   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p3_RG10.xyz'
2025-06-01T03:28:16,857   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p4_RG10.xyz'
2025-06-01T03:28:16,858   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p5_RG10.xyz'
2025-06-01T03:28:16,859   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p6_RG10.xyz'
2025-06-01T03:28:16,860   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p7_RG10.xyz'
2025-06-01T03:28:16,861   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p8_RG10.xyz'
2025-06-01T03:28:16,862   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_3p9_RG10.xyz'
2025-06-01T03:28:16,863   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p0_RG10.xyz'
2025-06-01T03:28:16,864   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p1_RG10.xyz'
2025-06-01T03:28:16,865   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p2_RG10.xyz'
2025-06-01T03:28:16,866   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p3_RG10.xyz'
2025-06-01T03:28:16,867   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p4_RG10.xyz'
2025-06-01T03:28:16,869   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p5_RG10.xyz'
2025-06-01T03:28:16,870   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p6_RG10.xyz'
2025-06-01T03:28:16,871   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p7_RG10.xyz'
2025-06-01T03:28:16,872   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p8_RG10.xyz'
2025-06-01T03:28:16,873   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_4p9_RG10.xyz'
2025-06-01T03:28:16,874   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p0_RG10.xyz'
2025-06-01T03:28:16,875   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p1_RG10.xyz'
2025-06-01T03:28:16,876   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p2_RG10.xyz'
2025-06-01T03:28:16,877   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p3_RG10.xyz'
2025-06-01T03:28:16,878   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p4_RG10.xyz'
2025-06-01T03:28:16,879   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p5_RG10.xyz'
2025-06-01T03:28:16,881   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p6_RG10.xyz'
2025-06-01T03:28:16,882   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p7_RG10.xyz'
2025-06-01T03:28:16,883   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p8_RG10.xyz'
2025-06-01T03:28:16,884   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_5p9_RG10.xyz'
2025-06-01T03:28:16,885   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p0_RG10.xyz'
2025-06-01T03:28:16,886   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p1_RG10.xyz'
2025-06-01T03:28:16,887   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p2_RG10.xyz'
2025-06-01T03:28:16,888   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p3_RG10.xyz'
2025-06-01T03:28:16,889   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p4_RG10.xyz'
2025-06-01T03:28:16,891   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p5_RG10.xyz'
2025-06-01T03:28:16,892   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p6_RG10.xyz'
2025-06-01T03:28:16,893   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p7_RG10.xyz'
2025-06-01T03:28:16,894   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p8_RG10.xyz'
2025-06-01T03:28:16,895   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_6p9_RG10.xyz'
2025-06-01T03:28:16,896   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p0_RG10.xyz'
2025-06-01T03:28:16,897   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p1_RG10.xyz'
2025-06-01T03:28:16,899   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p2_RG10.xyz'
2025-06-01T03:28:16,900   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p3_RG10.xyz'
2025-06-01T03:28:16,901   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p4_RG10.xyz'
2025-06-01T03:28:16,902   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p5_RG10.xyz'
2025-06-01T03:28:16,903   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p6_RG10.xyz'
2025-06-01T03:28:16,904   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p7_RG10.xyz'
2025-06-01T03:28:16,905   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p8_RG10.xyz'
2025-06-01T03:28:16,906   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_7p9_RG10.xyz'
2025-06-01T03:28:16,907   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/18_ArAr_8p0_RG10.xyz'
2025-06-01T03:28:16,908   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_2p9_RG10.xyz'
2025-06-01T03:28:16,909   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p0_RG10.xyz'
2025-06-01T03:28:16,910   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p1_RG10.xyz'
2025-06-01T03:28:16,911   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p2_RG10.xyz'
2025-06-01T03:28:16,912   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p3_RG10.xyz'
2025-06-01T03:28:16,914   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p4_RG10.xyz'
2025-06-01T03:28:16,915   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p5_RG10.xyz'
2025-06-01T03:28:16,916   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p6_RG10.xyz'
2025-06-01T03:28:16,917   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p7_RG10.xyz'
2025-06-01T03:28:16,918   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p8_RG10.xyz'
2025-06-01T03:28:16,919   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_3p9_RG10.xyz'
2025-06-01T03:28:16,920   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p0_RG10.xyz'
2025-06-01T03:28:16,921   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p1_RG10.xyz'
2025-06-01T03:28:16,922   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p2_RG10.xyz'
2025-06-01T03:28:16,923   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p3_RG10.xyz'
2025-06-01T03:28:16,924   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p4_RG10.xyz'
2025-06-01T03:28:16,925   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p5_RG10.xyz'
2025-06-01T03:28:16,926   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p6_RG10.xyz'
2025-06-01T03:28:16,928   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p7_RG10.xyz'
2025-06-01T03:28:16,929   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p8_RG10.xyz'
2025-06-01T03:28:16,930   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_4p9_RG10.xyz'
2025-06-01T03:28:16,931   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p0_RG10.xyz'
2025-06-01T03:28:16,932   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p1_RG10.xyz'
2025-06-01T03:28:16,933   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p2_RG10.xyz'
2025-06-01T03:28:16,934   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p3_RG10.xyz'
2025-06-01T03:28:16,935   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p4_RG10.xyz'
2025-06-01T03:28:16,936   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p5_RG10.xyz'
2025-06-01T03:28:16,938   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p6_RG10.xyz'
2025-06-01T03:28:16,939   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p7_RG10.xyz'
2025-06-01T03:28:16,940   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p8_RG10.xyz'
2025-06-01T03:28:16,941   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_5p9_RG10.xyz'
2025-06-01T03:28:16,942   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p0_RG10.xyz'
2025-06-01T03:28:16,943   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p1_RG10.xyz'
2025-06-01T03:28:16,944   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p2_RG10.xyz'
2025-06-01T03:28:16,945   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p3_RG10.xyz'
2025-06-01T03:28:16,947   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p4_RG10.xyz'
2025-06-01T03:28:16,948   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p5_RG10.xyz'
2025-06-01T03:28:16,949   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p6_RG10.xyz'
2025-06-01T03:28:16,950   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p7_RG10.xyz'
2025-06-01T03:28:16,951   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p8_RG10.xyz'
2025-06-01T03:28:16,952   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_6p9_RG10.xyz'
2025-06-01T03:28:16,953   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p0_RG10.xyz'
2025-06-01T03:28:16,954   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p1_RG10.xyz'
2025-06-01T03:28:16,955   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p2_RG10.xyz'
2025-06-01T03:28:16,956   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p3_RG10.xyz'
2025-06-01T03:28:16,957   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p4_RG10.xyz'
2025-06-01T03:28:16,958   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p5_RG10.xyz'
2025-06-01T03:28:16,959   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p6_RG10.xyz'
2025-06-01T03:28:16,961   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p7_RG10.xyz'
2025-06-01T03:28:16,962   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p8_RG10.xyz'
2025-06-01T03:28:16,963   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_7p9_RG10.xyz'
2025-06-01T03:28:16,964   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/19_ArKr_8p0_RG10.xyz'
2025-06-01T03:28:16,965   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p0_RG10.xyz'
2025-06-01T03:28:16,966   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p1_RG10.xyz'
2025-06-01T03:28:16,967   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p2_RG10.xyz'
2025-06-01T03:28:16,968   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p3_RG10.xyz'
2025-06-01T03:28:16,969   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p4_RG10.xyz'
2025-06-01T03:28:16,970   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p5_RG10.xyz'
2025-06-01T03:28:16,972   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p6_RG10.xyz'
2025-06-01T03:28:16,973   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p7_RG10.xyz'
2025-06-01T03:28:16,974   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p8_RG10.xyz'
2025-06-01T03:28:16,975   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_3p9_RG10.xyz'
2025-06-01T03:28:16,976   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p0_RG10.xyz'
2025-06-01T03:28:16,977   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p1_RG10.xyz'
2025-06-01T03:28:16,978   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p2_RG10.xyz'
2025-06-01T03:28:16,979   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p3_RG10.xyz'
2025-06-01T03:28:16,980   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p4_RG10.xyz'
2025-06-01T03:28:16,981   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p5_RG10.xyz'
2025-06-01T03:28:16,983   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p6_RG10.xyz'
2025-06-01T03:28:16,984   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p7_RG10.xyz'
2025-06-01T03:28:16,985   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p8_RG10.xyz'
2025-06-01T03:28:16,986   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_4p9_RG10.xyz'
2025-06-01T03:28:16,987   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p0_RG10.xyz'
2025-06-01T03:28:16,988   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p1_RG10.xyz'
2025-06-01T03:28:16,989   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p2_RG10.xyz'
2025-06-01T03:28:16,991   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p3_RG10.xyz'
2025-06-01T03:28:16,992   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p4_RG10.xyz'
2025-06-01T03:28:16,993   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p5_RG10.xyz'
2025-06-01T03:28:16,994   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p6_RG10.xyz'
2025-06-01T03:28:16,995   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p7_RG10.xyz'
2025-06-01T03:28:16,996   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p8_RG10.xyz'
2025-06-01T03:28:16,997   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_5p9_RG10.xyz'
2025-06-01T03:28:16,999   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p0_RG10.xyz'
2025-06-01T03:28:17,000   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p1_RG10.xyz'
2025-06-01T03:28:17,001   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p2_RG10.xyz'
2025-06-01T03:28:17,002   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p3_RG10.xyz'
2025-06-01T03:28:17,003   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p4_RG10.xyz'
2025-06-01T03:28:17,004   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p5_RG10.xyz'
2025-06-01T03:28:17,005   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p6_RG10.xyz'
2025-06-01T03:28:17,006   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p7_RG10.xyz'
2025-06-01T03:28:17,007   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p8_RG10.xyz'
2025-06-01T03:28:17,008   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_6p9_RG10.xyz'
2025-06-01T03:28:17,009   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p0_RG10.xyz'
2025-06-01T03:28:17,010   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p1_RG10.xyz'
2025-06-01T03:28:17,011   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p2_RG10.xyz'
2025-06-01T03:28:17,012   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p3_RG10.xyz'
2025-06-01T03:28:17,014   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p4_RG10.xyz'
2025-06-01T03:28:17,015   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p5_RG10.xyz'
2025-06-01T03:28:17,016   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p6_RG10.xyz'
2025-06-01T03:28:17,017   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p7_RG10.xyz'
2025-06-01T03:28:17,018   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p8_RG10.xyz'
2025-06-01T03:28:17,019   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_7p9_RG10.xyz'
2025-06-01T03:28:17,020   adding 'xcbm/MGCDB84_Dataset/Geometries/RG10/20_KrKr_8p0_RG10.xyz'
2025-06-01T03:28:17,023   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_dim_S22.xyz'
2025-06-01T03:28:17,024   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monA_S22.xyz'
2025-06-01T03:28:17,025   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/100_BenzenedimerTshaped_monB_S22.xyz'
2025-06-01T03:28:17,026   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_dim_S22.xyz'
2025-06-01T03:28:17,028   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monA_S22.xyz'
2025-06-01T03:28:17,029   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/101_IndolebenzeneTshapecomplex_monB_S22.xyz'
2025-06-01T03:28:17,030   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_dim_S22.xyz'
2025-06-01T03:28:17,031   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monA_S22.xyz'
2025-06-01T03:28:17,032   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/102_Phenoldimer_monB_S22.xyz'
2025-06-01T03:28:17,034   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_dim_S22.xyz'
2025-06-01T03:28:17,035   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monA_S22.xyz'
2025-06-01T03:28:17,036   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/81_Ammoniadimer_monB_S22.xyz'
2025-06-01T03:28:17,037   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_dim_S22.xyz'
2025-06-01T03:28:17,038   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monA_S22.xyz'
2025-06-01T03:28:17,039   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/82_Waterdimer_monB_S22.xyz'
2025-06-01T03:28:17,041   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_dim_S22.xyz'
2025-06-01T03:28:17,042   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monA_S22.xyz'
2025-06-01T03:28:17,043   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/83_BenzeneMethanecomplex_monB_S22.xyz'
2025-06-01T03:28:17,044   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_dim_S22.xyz'
2025-06-01T03:28:17,045   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monA_S22.xyz'
2025-06-01T03:28:17,047   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/84_Formicaciddimer_monB_S22.xyz'
2025-06-01T03:28:17,048   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_dim_S22.xyz'
2025-06-01T03:28:17,049   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monA_S22.xyz'
2025-06-01T03:28:17,050   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/85_Formamidedimer_monB_S22.xyz'
2025-06-01T03:28:17,051   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_dim_S22.xyz'
2025-06-01T03:28:17,052   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monA_S22.xyz'
2025-06-01T03:28:17,053   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/86_Uracildimerhbonded_monB_S22.xyz'
2025-06-01T03:28:17,055   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_dim_S22.xyz'
2025-06-01T03:28:17,056   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monA_S22.xyz'
2025-06-01T03:28:17,057   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/87_2pyridoxine2aminopyridinecomplex_monB_S22.xyz'
2025-06-01T03:28:17,058   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_dim_S22.xyz'
2025-06-01T03:28:17,060   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monA_S22.xyz'
2025-06-01T03:28:17,061   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/88_AdeninethymineWatsonCrickcomplex_monB_S22.xyz'
2025-06-01T03:28:17,062   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_dim_S22.xyz'
2025-06-01T03:28:17,063   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monA_S22.xyz'
2025-06-01T03:28:17,064   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/89_Methanedimer_monB_S22.xyz'
2025-06-01T03:28:17,065   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_dim_S22.xyz'
2025-06-01T03:28:17,066   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monA_S22.xyz'
2025-06-01T03:28:17,067   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/90_Ethenedimer_monB_S22.xyz'
2025-06-01T03:28:17,068   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_dim_S22.xyz'
2025-06-01T03:28:17,070   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monA_S22.xyz'
2025-06-01T03:28:17,071   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/91_Benzenedimerparalleldisplaced_monB_S22.xyz'
2025-06-01T03:28:17,072   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_dim_S22.xyz'
2025-06-01T03:28:17,073   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monA_S22.xyz'
2025-06-01T03:28:17,074   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/92_Pyrazinedimer_monB_S22.xyz'
2025-06-01T03:28:17,076   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_dim_S22.xyz'
2025-06-01T03:28:17,077   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monA_S22.xyz'
2025-06-01T03:28:17,078   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/93_Uracildimerstack_monB_S22.xyz'
2025-06-01T03:28:17,079   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_dim_S22.xyz'
2025-06-01T03:28:17,081   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monA_S22.xyz'
2025-06-01T03:28:17,082   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/94_Indolebenzenecomplexstack_monB_S22.xyz'
2025-06-01T03:28:17,083   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_dim_S22.xyz'
2025-06-01T03:28:17,084   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monA_S22.xyz'
2025-06-01T03:28:17,085   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/95_Adeninethyminecomplexstack_monB_S22.xyz'
2025-06-01T03:28:17,087   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_dim_S22.xyz'
2025-06-01T03:28:17,088   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monA_S22.xyz'
2025-06-01T03:28:17,089   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/96_Etheneethynecomplex_monB_S22.xyz'
2025-06-01T03:28:17,090   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_dim_S22.xyz'
2025-06-01T03:28:17,091   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monA_S22.xyz'
2025-06-01T03:28:17,093   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/97_Benzenewatercomplex_monB_S22.xyz'
2025-06-01T03:28:17,094   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_dim_S22.xyz'
2025-06-01T03:28:17,095   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monA_S22.xyz'
2025-06-01T03:28:17,096   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/98_Benzeneammoniacomplex_monB_S22.xyz'
2025-06-01T03:28:17,097   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_dim_S22.xyz'
2025-06-01T03:28:17,098   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monA_S22.xyz'
2025-06-01T03:28:17,099   adding 'xcbm/MGCDB84_Dataset/Geometries/S22/99_BenzeneHCNcomplex_monB_S22.xyz'
2025-06-01T03:28:17,129   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2699_01WaterWater090_dim_S66x8.xyz'
2025-06-01T03:28:17,130   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2700_01WaterWater095_dim_S66x8.xyz'
2025-06-01T03:28:17,131   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_dim_S66x8.xyz'
2025-06-01T03:28:17,132   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monA_S66x8.xyz'
2025-06-01T03:28:17,133   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2701_01WaterWater100_monB_S66x8.xyz'
2025-06-01T03:28:17,135   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2702_01WaterWater105_dim_S66x8.xyz'
2025-06-01T03:28:17,136   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2703_01WaterWater110_dim_S66x8.xyz'
2025-06-01T03:28:17,137   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2704_01WaterWater125_dim_S66x8.xyz'
2025-06-01T03:28:17,138   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2705_01WaterWater150_dim_S66x8.xyz'
2025-06-01T03:28:17,139   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2706_01WaterWater200_dim_S66x8.xyz'
2025-06-01T03:28:17,140   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2707_02WaterMeOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,141   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2708_02WaterMeOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,142   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,143   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,145   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2709_02WaterMeOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,146   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2710_02WaterMeOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,147   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2711_02WaterMeOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,148   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2712_02WaterMeOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,149   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2713_02WaterMeOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,150   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2714_02WaterMeOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,152   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2715_03WaterMeNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,153   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2716_03WaterMeNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,154   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,155   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,156   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2717_03WaterMeNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,157   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2718_03WaterMeNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,158   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2719_03WaterMeNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,159   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2720_03WaterMeNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,161   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2721_03WaterMeNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,162   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2722_03WaterMeNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,163   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2723_04WaterPeptide090_dim_S66x8.xyz'
2025-06-01T03:28:17,164   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2724_04WaterPeptide095_dim_S66x8.xyz'
2025-06-01T03:28:17,165   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_dim_S66x8.xyz'
2025-06-01T03:28:17,166   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monA_S66x8.xyz'
2025-06-01T03:28:17,167   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2725_04WaterPeptide100_monB_S66x8.xyz'
2025-06-01T03:28:17,168   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2726_04WaterPeptide105_dim_S66x8.xyz'
2025-06-01T03:28:17,169   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2727_04WaterPeptide110_dim_S66x8.xyz'
2025-06-01T03:28:17,171   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2728_04WaterPeptide125_dim_S66x8.xyz'
2025-06-01T03:28:17,172   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2729_04WaterPeptide150_dim_S66x8.xyz'
2025-06-01T03:28:17,173   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2730_04WaterPeptide200_dim_S66x8.xyz'
2025-06-01T03:28:17,174   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2731_05MeOHMeOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,175   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2732_05MeOHMeOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,176   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,177   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,178   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2733_05MeOHMeOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,179   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2734_05MeOHMeOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,181   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2735_05MeOHMeOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,182   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2736_05MeOHMeOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,183   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2737_05MeOHMeOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,184   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2738_05MeOHMeOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,185   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2739_06MeOHMeNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,186   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2740_06MeOHMeNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,188   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,189   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,190   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2741_06MeOHMeNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,191   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2742_06MeOHMeNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,192   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2743_06MeOHMeNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,194   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2744_06MeOHMeNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,195   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2745_06MeOHMeNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,196   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2746_06MeOHMeNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,197   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2747_07MeOHPeptide090_dim_S66x8.xyz'
2025-06-01T03:28:17,198   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2748_07MeOHPeptide095_dim_S66x8.xyz'
2025-06-01T03:28:17,200   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_dim_S66x8.xyz'
2025-06-01T03:28:17,201   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monA_S66x8.xyz'
2025-06-01T03:28:17,202   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2749_07MeOHPeptide100_monB_S66x8.xyz'
2025-06-01T03:28:17,203   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2750_07MeOHPeptide105_dim_S66x8.xyz'
2025-06-01T03:28:17,205   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2751_07MeOHPeptide110_dim_S66x8.xyz'
2025-06-01T03:28:17,206   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2752_07MeOHPeptide125_dim_S66x8.xyz'
2025-06-01T03:28:17,207   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2753_07MeOHPeptide150_dim_S66x8.xyz'
2025-06-01T03:28:17,208   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2754_07MeOHPeptide200_dim_S66x8.xyz'
2025-06-01T03:28:17,209   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2755_08MeOHWater090_dim_S66x8.xyz'
2025-06-01T03:28:17,211   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2756_08MeOHWater095_dim_S66x8.xyz'
2025-06-01T03:28:17,212   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_dim_S66x8.xyz'
2025-06-01T03:28:17,213   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monA_S66x8.xyz'
2025-06-01T03:28:17,214   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2757_08MeOHWater100_monB_S66x8.xyz'
2025-06-01T03:28:17,215   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2758_08MeOHWater105_dim_S66x8.xyz'
2025-06-01T03:28:17,216   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2759_08MeOHWater110_dim_S66x8.xyz'
2025-06-01T03:28:17,217   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2760_08MeOHWater125_dim_S66x8.xyz'
2025-06-01T03:28:17,218   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2761_08MeOHWater150_dim_S66x8.xyz'
2025-06-01T03:28:17,219   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2762_08MeOHWater200_dim_S66x8.xyz'
2025-06-01T03:28:17,221   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2763_09MeNH2MeOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,222   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2764_09MeNH2MeOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,223   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,224   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,225   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2765_09MeNH2MeOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,226   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2766_09MeNH2MeOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,227   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2767_09MeNH2MeOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,229   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2768_09MeNH2MeOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,230   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2769_09MeNH2MeOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,231   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2770_09MeNH2MeOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,232   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2771_10MeNH2MeNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,234   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2772_10MeNH2MeNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,235   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,236   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,237   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2773_10MeNH2MeNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,238   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2774_10MeNH2MeNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,240   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2775_10MeNH2MeNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,241   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2776_10MeNH2MeNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,242   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2777_10MeNH2MeNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,243   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2778_10MeNH2MeNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,245   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2779_11MeNH2Peptide090_dim_S66x8.xyz'
2025-06-01T03:28:17,246   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2780_11MeNH2Peptide095_dim_S66x8.xyz'
2025-06-01T03:28:17,247   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_dim_S66x8.xyz'
2025-06-01T03:28:17,248   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monA_S66x8.xyz'
2025-06-01T03:28:17,250   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2781_11MeNH2Peptide100_monB_S66x8.xyz'
2025-06-01T03:28:17,251   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2782_11MeNH2Peptide105_dim_S66x8.xyz'
2025-06-01T03:28:17,252   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2783_11MeNH2Peptide110_dim_S66x8.xyz'
2025-06-01T03:28:17,254   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2784_11MeNH2Peptide125_dim_S66x8.xyz'
2025-06-01T03:28:17,255   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2785_11MeNH2Peptide150_dim_S66x8.xyz'
2025-06-01T03:28:17,256   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2786_11MeNH2Peptide200_dim_S66x8.xyz'
2025-06-01T03:28:17,257   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2787_12MeNH2Water090_dim_S66x8.xyz'
2025-06-01T03:28:17,258   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2788_12MeNH2Water095_dim_S66x8.xyz'
2025-06-01T03:28:17,259   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_dim_S66x8.xyz'
2025-06-01T03:28:17,260   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monA_S66x8.xyz'
2025-06-01T03:28:17,261   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2789_12MeNH2Water100_monB_S66x8.xyz'
2025-06-01T03:28:17,262   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2790_12MeNH2Water105_dim_S66x8.xyz'
2025-06-01T03:28:17,264   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2791_12MeNH2Water110_dim_S66x8.xyz'
2025-06-01T03:28:17,265   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2792_12MeNH2Water125_dim_S66x8.xyz'
2025-06-01T03:28:17,266   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2793_12MeNH2Water150_dim_S66x8.xyz'
2025-06-01T03:28:17,267   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2794_12MeNH2Water200_dim_S66x8.xyz'
2025-06-01T03:28:17,268   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2795_13PeptideMeOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,270   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2796_13PeptideMeOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,271   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,272   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,273   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2797_13PeptideMeOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,274   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2798_13PeptideMeOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,275   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2799_13PeptideMeOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,276   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2800_13PeptideMeOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,278   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2801_13PeptideMeOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,279   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2802_13PeptideMeOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,280   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2803_14PeptideMeNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,281   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2804_14PeptideMeNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,282   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,284   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,285   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2805_14PeptideMeNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,286   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2806_14PeptideMeNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,287   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2807_14PeptideMeNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,288   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2808_14PeptideMeNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,290   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2809_14PeptideMeNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,291   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2810_14PeptideMeNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,292   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2811_15PeptidePeptide090_dim_S66x8.xyz'
2025-06-01T03:28:17,293   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2812_15PeptidePeptide095_dim_S66x8.xyz'
2025-06-01T03:28:17,295   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_dim_S66x8.xyz'
2025-06-01T03:28:17,296   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monA_S66x8.xyz'
2025-06-01T03:28:17,297   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2813_15PeptidePeptide100_monB_S66x8.xyz'
2025-06-01T03:28:17,299   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2814_15PeptidePeptide105_dim_S66x8.xyz'
2025-06-01T03:28:17,300   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2815_15PeptidePeptide110_dim_S66x8.xyz'
2025-06-01T03:28:17,301   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2816_15PeptidePeptide125_dim_S66x8.xyz'
2025-06-01T03:28:17,302   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2817_15PeptidePeptide150_dim_S66x8.xyz'
2025-06-01T03:28:17,303   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2818_15PeptidePeptide200_dim_S66x8.xyz'
2025-06-01T03:28:17,304   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2819_16PeptideWater090_dim_S66x8.xyz'
2025-06-01T03:28:17,305   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2820_16PeptideWater095_dim_S66x8.xyz'
2025-06-01T03:28:17,306   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_dim_S66x8.xyz'
2025-06-01T03:28:17,308   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monA_S66x8.xyz'
2025-06-01T03:28:17,309   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2821_16PeptideWater100_monB_S66x8.xyz'
2025-06-01T03:28:17,310   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2822_16PeptideWater105_dim_S66x8.xyz'
2025-06-01T03:28:17,311   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2823_16PeptideWater110_dim_S66x8.xyz'
2025-06-01T03:28:17,312   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2824_16PeptideWater125_dim_S66x8.xyz'
2025-06-01T03:28:17,313   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2825_16PeptideWater150_dim_S66x8.xyz'
2025-06-01T03:28:17,315   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2826_16PeptideWater200_dim_S66x8.xyz'
2025-06-01T03:28:17,316   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2827_17UracilUracilBP090_dim_S66x8.xyz'
2025-06-01T03:28:17,317   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2828_17UracilUracilBP095_dim_S66x8.xyz'
2025-06-01T03:28:17,318   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_dim_S66x8.xyz'
2025-06-01T03:28:17,320   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monA_S66x8.xyz'
2025-06-01T03:28:17,321   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2829_17UracilUracilBP100_monB_S66x8.xyz'
2025-06-01T03:28:17,322   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2830_17UracilUracilBP105_dim_S66x8.xyz'
2025-06-01T03:28:17,323   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2831_17UracilUracilBP110_dim_S66x8.xyz'
2025-06-01T03:28:17,324   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2832_17UracilUracilBP125_dim_S66x8.xyz'
2025-06-01T03:28:17,326   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2833_17UracilUracilBP150_dim_S66x8.xyz'
2025-06-01T03:28:17,327   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2834_17UracilUracilBP200_dim_S66x8.xyz'
2025-06-01T03:28:17,328   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2835_18WaterPyridine090_dim_S66x8.xyz'
2025-06-01T03:28:17,330   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2836_18WaterPyridine095_dim_S66x8.xyz'
2025-06-01T03:28:17,331   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_dim_S66x8.xyz'
2025-06-01T03:28:17,332   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monA_S66x8.xyz'
2025-06-01T03:28:17,333   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2837_18WaterPyridine100_monB_S66x8.xyz'
2025-06-01T03:28:17,334   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2838_18WaterPyridine105_dim_S66x8.xyz'
2025-06-01T03:28:17,335   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2839_18WaterPyridine110_dim_S66x8.xyz'
2025-06-01T03:28:17,337   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2840_18WaterPyridine125_dim_S66x8.xyz'
2025-06-01T03:28:17,338   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2841_18WaterPyridine150_dim_S66x8.xyz'
2025-06-01T03:28:17,339   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2842_18WaterPyridine200_dim_S66x8.xyz'
2025-06-01T03:28:17,340   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2843_19MeOHPyridine090_dim_S66x8.xyz'
2025-06-01T03:28:17,342   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2844_19MeOHPyridine095_dim_S66x8.xyz'
2025-06-01T03:28:17,343   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_dim_S66x8.xyz'
2025-06-01T03:28:17,344   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monA_S66x8.xyz'
2025-06-01T03:28:17,345   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2845_19MeOHPyridine100_monB_S66x8.xyz'
2025-06-01T03:28:17,346   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2846_19MeOHPyridine105_dim_S66x8.xyz'
2025-06-01T03:28:17,347   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2847_19MeOHPyridine110_dim_S66x8.xyz'
2025-06-01T03:28:17,349   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2848_19MeOHPyridine125_dim_S66x8.xyz'
2025-06-01T03:28:17,350   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2849_19MeOHPyridine150_dim_S66x8.xyz'
2025-06-01T03:28:17,351   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2850_19MeOHPyridine200_dim_S66x8.xyz'
2025-06-01T03:28:17,352   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2851_20AcOHAcOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,353   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2852_20AcOHAcOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,354   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,355   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,356   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2853_20AcOHAcOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,357   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2854_20AcOHAcOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,359   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2855_20AcOHAcOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,360   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2856_20AcOHAcOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,361   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2857_20AcOHAcOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,362   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2858_20AcOHAcOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,363   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2859_21AcNH2AcNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,365   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2860_21AcNH2AcNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,366   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,367   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,368   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2861_21AcNH2AcNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,369   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2862_21AcNH2AcNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,371   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2863_21AcNH2AcNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,372   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2864_21AcNH2AcNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,373   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2865_21AcNH2AcNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,374   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2866_21AcNH2AcNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,375   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2867_22AcOHUracil090_dim_S66x8.xyz'
2025-06-01T03:28:17,377   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2868_22AcOHUracil095_dim_S66x8.xyz'
2025-06-01T03:28:17,378   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_dim_S66x8.xyz'
2025-06-01T03:28:17,379   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monA_S66x8.xyz'
2025-06-01T03:28:17,380   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2869_22AcOHUracil100_monB_S66x8.xyz'
2025-06-01T03:28:17,382   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2870_22AcOHUracil105_dim_S66x8.xyz'
2025-06-01T03:28:17,383   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2871_22AcOHUracil110_dim_S66x8.xyz'
2025-06-01T03:28:17,384   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2872_22AcOHUracil125_dim_S66x8.xyz'
2025-06-01T03:28:17,385   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2873_22AcOHUracil150_dim_S66x8.xyz'
2025-06-01T03:28:17,386   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2874_22AcOHUracil200_dim_S66x8.xyz'
2025-06-01T03:28:17,387   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2875_23AcNH2Uracil090_dim_S66x8.xyz'
2025-06-01T03:28:17,388   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2876_23AcNH2Uracil095_dim_S66x8.xyz'
2025-06-01T03:28:17,390   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_dim_S66x8.xyz'
2025-06-01T03:28:17,391   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monA_S66x8.xyz'
2025-06-01T03:28:17,392   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2877_23AcNH2Uracil100_monB_S66x8.xyz'
2025-06-01T03:28:17,393   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2878_23AcNH2Uracil105_dim_S66x8.xyz'
2025-06-01T03:28:17,394   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2879_23AcNH2Uracil110_dim_S66x8.xyz'
2025-06-01T03:28:17,396   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2880_23AcNH2Uracil125_dim_S66x8.xyz'
2025-06-01T03:28:17,397   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2881_23AcNH2Uracil150_dim_S66x8.xyz'
2025-06-01T03:28:17,398   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2882_23AcNH2Uracil200_dim_S66x8.xyz'
2025-06-01T03:28:17,399   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2883_24BenzeneBenzenepipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,400   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2884_24BenzeneBenzenepipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,402   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,403   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,404   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2885_24BenzeneBenzenepipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,405   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2886_24BenzeneBenzenepipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,407   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2887_24BenzeneBenzenepipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,408   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2888_24BenzeneBenzenepipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,409   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2889_24BenzeneBenzenepipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,410   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2890_24BenzeneBenzenepipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,411   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2891_25PyridinePyridinepipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,413   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2892_25PyridinePyridinepipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,414   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,415   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,416   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2893_25PyridinePyridinepipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,417   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2894_25PyridinePyridinepipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,419   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2895_25PyridinePyridinepipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,420   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2896_25PyridinePyridinepipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,422   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2897_25PyridinePyridinepipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,423   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2898_25PyridinePyridinepipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,425   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2899_26UracilUracilpipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,426   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2900_26UracilUracilpipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,428   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,429   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,430   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2901_26UracilUracilpipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,432   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2902_26UracilUracilpipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,433   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2903_26UracilUracilpipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,435   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2904_26UracilUracilpipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,436   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2905_26UracilUracilpipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,438   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2906_26UracilUracilpipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,439   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2907_27BenzenePyridinepipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,441   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2908_27BenzenePyridinepipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,442   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,444   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,445   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2909_27BenzenePyridinepipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,447   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2910_27BenzenePyridinepipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,448   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2911_27BenzenePyridinepipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,450   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2912_27BenzenePyridinepipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,451   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2913_27BenzenePyridinepipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,453   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2914_27BenzenePyridinepipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,454   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2915_28BenzeneUracilpipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,455   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2916_28BenzeneUracilpipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,457   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,458   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,460   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2917_28BenzeneUracilpipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,461   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2918_28BenzeneUracilpipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,463   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2919_28BenzeneUracilpipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,464   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2920_28BenzeneUracilpipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,465   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2921_28BenzeneUracilpipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,467   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2922_28BenzeneUracilpipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,468   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2923_29PyridineUracilpipi090_dim_S66x8.xyz'
2025-06-01T03:28:17,470   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2924_29PyridineUracilpipi095_dim_S66x8.xyz'
2025-06-01T03:28:17,471   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_dim_S66x8.xyz'
2025-06-01T03:28:17,472   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monA_S66x8.xyz'
2025-06-01T03:28:17,474   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2925_29PyridineUracilpipi100_monB_S66x8.xyz'
2025-06-01T03:28:17,475   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2926_29PyridineUracilpipi105_dim_S66x8.xyz'
2025-06-01T03:28:17,477   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2927_29PyridineUracilpipi110_dim_S66x8.xyz'
2025-06-01T03:28:17,478   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2928_29PyridineUracilpipi125_dim_S66x8.xyz'
2025-06-01T03:28:17,480   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2929_29PyridineUracilpipi150_dim_S66x8.xyz'
2025-06-01T03:28:17,481   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2930_29PyridineUracilpipi200_dim_S66x8.xyz'
2025-06-01T03:28:17,483   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2931_30BenzeneEthene090_dim_S66x8.xyz'
2025-06-01T03:28:17,484   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2932_30BenzeneEthene095_dim_S66x8.xyz'
2025-06-01T03:28:17,486   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_dim_S66x8.xyz'
2025-06-01T03:28:17,487   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monA_S66x8.xyz'
2025-06-01T03:28:17,488   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2933_30BenzeneEthene100_monB_S66x8.xyz'
2025-06-01T03:28:17,490   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2934_30BenzeneEthene105_dim_S66x8.xyz'
2025-06-01T03:28:17,491   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2935_30BenzeneEthene110_dim_S66x8.xyz'
2025-06-01T03:28:17,493   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2936_30BenzeneEthene125_dim_S66x8.xyz'
2025-06-01T03:28:17,494   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2937_30BenzeneEthene150_dim_S66x8.xyz'
2025-06-01T03:28:17,496   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2938_30BenzeneEthene200_dim_S66x8.xyz'
2025-06-01T03:28:17,497   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2939_31UracilEthene090_dim_S66x8.xyz'
2025-06-01T03:28:17,499   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2940_31UracilEthene095_dim_S66x8.xyz'
2025-06-01T03:28:17,500   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_dim_S66x8.xyz'
2025-06-01T03:28:17,502   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monA_S66x8.xyz'
2025-06-01T03:28:17,503   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2941_31UracilEthene100_monB_S66x8.xyz'
2025-06-01T03:28:17,505   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2942_31UracilEthene105_dim_S66x8.xyz'
2025-06-01T03:28:17,506   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2943_31UracilEthene110_dim_S66x8.xyz'
2025-06-01T03:28:17,507   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2944_31UracilEthene125_dim_S66x8.xyz'
2025-06-01T03:28:17,509   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2945_31UracilEthene150_dim_S66x8.xyz'
2025-06-01T03:28:17,510   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2946_31UracilEthene200_dim_S66x8.xyz'
2025-06-01T03:28:17,512   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2947_32UracilEthyne090_dim_S66x8.xyz'
2025-06-01T03:28:17,513   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2948_32UracilEthyne095_dim_S66x8.xyz'
2025-06-01T03:28:17,514   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_dim_S66x8.xyz'
2025-06-01T03:28:17,516   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monA_S66x8.xyz'
2025-06-01T03:28:17,517   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2949_32UracilEthyne100_monB_S66x8.xyz'
2025-06-01T03:28:17,519   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2950_32UracilEthyne105_dim_S66x8.xyz'
2025-06-01T03:28:17,520   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2951_32UracilEthyne110_dim_S66x8.xyz'
2025-06-01T03:28:17,522   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2952_32UracilEthyne125_dim_S66x8.xyz'
2025-06-01T03:28:17,523   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2953_32UracilEthyne150_dim_S66x8.xyz'
2025-06-01T03:28:17,524   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2954_32UracilEthyne200_dim_S66x8.xyz'
2025-06-01T03:28:17,526   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2955_33PyridineEthene090_dim_S66x8.xyz'
2025-06-01T03:28:17,527   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2956_33PyridineEthene095_dim_S66x8.xyz'
2025-06-01T03:28:17,529   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_dim_S66x8.xyz'
2025-06-01T03:28:17,530   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monA_S66x8.xyz'
2025-06-01T03:28:17,531   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2957_33PyridineEthene100_monB_S66x8.xyz'
2025-06-01T03:28:17,533   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2958_33PyridineEthene105_dim_S66x8.xyz'
2025-06-01T03:28:17,534   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2959_33PyridineEthene110_dim_S66x8.xyz'
2025-06-01T03:28:17,536   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2960_33PyridineEthene125_dim_S66x8.xyz'
2025-06-01T03:28:17,537   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2961_33PyridineEthene150_dim_S66x8.xyz'
2025-06-01T03:28:17,539   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2962_33PyridineEthene200_dim_S66x8.xyz'
2025-06-01T03:28:17,540   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2963_34PentanePentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,541   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2964_34PentanePentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,543   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,544   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,545   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2965_34PentanePentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,546   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2966_34PentanePentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,547   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2967_34PentanePentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,549   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2968_34PentanePentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,550   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2969_34PentanePentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,551   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2970_34PentanePentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,552   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2971_35NeopentanePentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,554   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2972_35NeopentanePentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,555   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,556   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,557   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2973_35NeopentanePentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,558   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2974_35NeopentanePentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,560   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2975_35NeopentanePentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,561   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2976_35NeopentanePentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,562   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2977_35NeopentanePentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,563   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2978_35NeopentanePentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,565   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2979_36NeopentaneNeopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,566   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2980_36NeopentaneNeopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,567   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,568   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,570   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2981_36NeopentaneNeopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,571   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2982_36NeopentaneNeopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,572   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2983_36NeopentaneNeopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,573   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2984_36NeopentaneNeopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,575   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2985_36NeopentaneNeopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,576   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2986_36NeopentaneNeopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,577   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2987_37CyclopentaneNeopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,578   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2988_37CyclopentaneNeopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,580   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,581   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,582   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2989_37CyclopentaneNeopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,583   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2990_37CyclopentaneNeopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,584   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2991_37CyclopentaneNeopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,586   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2992_37CyclopentaneNeopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,587   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2993_37CyclopentaneNeopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,588   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2994_37CyclopentaneNeopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,589   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2995_38CyclopentaneCyclopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,590   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2996_38CyclopentaneCyclopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,591   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,593   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,594   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2997_38CyclopentaneCyclopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,595   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2998_38CyclopentaneCyclopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,596   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/2999_38CyclopentaneCyclopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,597   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3000_38CyclopentaneCyclopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,599   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3001_38CyclopentaneCyclopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,600   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3002_38CyclopentaneCyclopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,601   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3003_39BenzeneCyclopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,602   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3004_39BenzeneCyclopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,603   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,605   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,606   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3005_39BenzeneCyclopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,607   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3006_39BenzeneCyclopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,608   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3007_39BenzeneCyclopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,609   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3008_39BenzeneCyclopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,611   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3009_39BenzeneCyclopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,612   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3010_39BenzeneCyclopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,613   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3011_40BenzeneNeopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,614   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3012_40BenzeneNeopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,616   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,617   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,618   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3013_40BenzeneNeopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,619   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3014_40BenzeneNeopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,620   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3015_40BenzeneNeopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,622   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3016_40BenzeneNeopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,623   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3017_40BenzeneNeopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,624   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3018_40BenzeneNeopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,625   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3019_41UracilPentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,626   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3020_41UracilPentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,627   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,628   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,630   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3021_41UracilPentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,631   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3022_41UracilPentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,632   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3023_41UracilPentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,633   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3024_41UracilPentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,634   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3025_41UracilPentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,636   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3026_41UracilPentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,637   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3027_42UracilCyclopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,638   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3028_42UracilCyclopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,639   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,640   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,641   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3029_42UracilCyclopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,643   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3030_42UracilCyclopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,644   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3031_42UracilCyclopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,645   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3032_42UracilCyclopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,646   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3033_42UracilCyclopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,647   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3034_42UracilCyclopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,649   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3035_43UracilNeopentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,650   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3036_43UracilNeopentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,651   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,652   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,653   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3037_43UracilNeopentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,655   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3038_43UracilNeopentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,656   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3039_43UracilNeopentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,657   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3040_43UracilNeopentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,658   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3041_43UracilNeopentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,660   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3042_43UracilNeopentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,661   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3043_44EthenePentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,662   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3044_44EthenePentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,663   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,665   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,666   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3045_44EthenePentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,667   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3046_44EthenePentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,668   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3047_44EthenePentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,669   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3048_44EthenePentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,670   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3049_44EthenePentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,671   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3050_44EthenePentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,672   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3051_45EthynePentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,673   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3052_45EthynePentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,675   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,676   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,677   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3053_45EthynePentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,678   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3054_45EthynePentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,679   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3055_45EthynePentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,680   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3056_45EthynePentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,682   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3057_45EthynePentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,683   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3058_45EthynePentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,684   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3059_46PeptidePentane090_dim_S66x8.xyz'
2025-06-01T03:28:17,685   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3060_46PeptidePentane095_dim_S66x8.xyz'
2025-06-01T03:28:17,686   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_dim_S66x8.xyz'
2025-06-01T03:28:17,687   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monA_S66x8.xyz'
2025-06-01T03:28:17,689   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3061_46PeptidePentane100_monB_S66x8.xyz'
2025-06-01T03:28:17,690   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3062_46PeptidePentane105_dim_S66x8.xyz'
2025-06-01T03:28:17,691   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3063_46PeptidePentane110_dim_S66x8.xyz'
2025-06-01T03:28:17,693   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3064_46PeptidePentane125_dim_S66x8.xyz'
2025-06-01T03:28:17,694   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3065_46PeptidePentane150_dim_S66x8.xyz'
2025-06-01T03:28:17,695   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3066_46PeptidePentane200_dim_S66x8.xyz'
2025-06-01T03:28:17,696   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3067_47BenzeneBenzeneTS090_dim_S66x8.xyz'
2025-06-01T03:28:17,697   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3068_47BenzeneBenzeneTS095_dim_S66x8.xyz'
2025-06-01T03:28:17,699   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_dim_S66x8.xyz'
2025-06-01T03:28:17,700   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monA_S66x8.xyz'
2025-06-01T03:28:17,701   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3069_47BenzeneBenzeneTS100_monB_S66x8.xyz'
2025-06-01T03:28:17,702   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3070_47BenzeneBenzeneTS105_dim_S66x8.xyz'
2025-06-01T03:28:17,704   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3071_47BenzeneBenzeneTS110_dim_S66x8.xyz'
2025-06-01T03:28:17,705   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3072_47BenzeneBenzeneTS125_dim_S66x8.xyz'
2025-06-01T03:28:17,706   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3073_47BenzeneBenzeneTS150_dim_S66x8.xyz'
2025-06-01T03:28:17,707   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3074_47BenzeneBenzeneTS200_dim_S66x8.xyz'
2025-06-01T03:28:17,709   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3075_48PyridinePyridineTS090_dim_S66x8.xyz'
2025-06-01T03:28:17,710   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3076_48PyridinePyridineTS095_dim_S66x8.xyz'
2025-06-01T03:28:17,711   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_dim_S66x8.xyz'
2025-06-01T03:28:17,712   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monA_S66x8.xyz'
2025-06-01T03:28:17,713   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3077_48PyridinePyridineTS100_monB_S66x8.xyz'
2025-06-01T03:28:17,714   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3078_48PyridinePyridineTS105_dim_S66x8.xyz'
2025-06-01T03:28:17,715   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3079_48PyridinePyridineTS110_dim_S66x8.xyz'
2025-06-01T03:28:17,717   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3080_48PyridinePyridineTS125_dim_S66x8.xyz'
2025-06-01T03:28:17,718   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3081_48PyridinePyridineTS150_dim_S66x8.xyz'
2025-06-01T03:28:17,719   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3082_48PyridinePyridineTS200_dim_S66x8.xyz'
2025-06-01T03:28:17,720   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3083_49BenzenePyridineTS090_dim_S66x8.xyz'
2025-06-01T03:28:17,722   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3084_49BenzenePyridineTS095_dim_S66x8.xyz'
2025-06-01T03:28:17,723   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_dim_S66x8.xyz'
2025-06-01T03:28:17,724   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monA_S66x8.xyz'
2025-06-01T03:28:17,725   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3085_49BenzenePyridineTS100_monB_S66x8.xyz'
2025-06-01T03:28:17,727   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3086_49BenzenePyridineTS105_dim_S66x8.xyz'
2025-06-01T03:28:17,728   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3087_49BenzenePyridineTS110_dim_S66x8.xyz'
2025-06-01T03:28:17,729   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3088_49BenzenePyridineTS125_dim_S66x8.xyz'
2025-06-01T03:28:17,731   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3089_49BenzenePyridineTS150_dim_S66x8.xyz'
2025-06-01T03:28:17,732   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3090_49BenzenePyridineTS200_dim_S66x8.xyz'
2025-06-01T03:28:17,733   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3091_50BenzeneEthyneCHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,734   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3092_50BenzeneEthyneCHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,735   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,737   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,738   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3093_50BenzeneEthyneCHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,739   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3094_50BenzeneEthyneCHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,740   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3095_50BenzeneEthyneCHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,742   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3096_50BenzeneEthyneCHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,743   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3097_50BenzeneEthyneCHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,744   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3098_50BenzeneEthyneCHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,745   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3099_51EthyneEthyneTS090_dim_S66x8.xyz'
2025-06-01T03:28:17,746   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3100_51EthyneEthyneTS095_dim_S66x8.xyz'
2025-06-01T03:28:17,748   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_dim_S66x8.xyz'
2025-06-01T03:28:17,749   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monA_S66x8.xyz'
2025-06-01T03:28:17,750   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3101_51EthyneEthyneTS100_monB_S66x8.xyz'
2025-06-01T03:28:17,751   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3102_51EthyneEthyneTS105_dim_S66x8.xyz'
2025-06-01T03:28:17,752   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3103_51EthyneEthyneTS110_dim_S66x8.xyz'
2025-06-01T03:28:17,753   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3104_51EthyneEthyneTS125_dim_S66x8.xyz'
2025-06-01T03:28:17,754   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3105_51EthyneEthyneTS150_dim_S66x8.xyz'
2025-06-01T03:28:17,755   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3106_51EthyneEthyneTS200_dim_S66x8.xyz'
2025-06-01T03:28:17,757   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3107_52BenzeneAcOHOHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,758   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3108_52BenzeneAcOHOHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,759   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,760   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,761   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3109_52BenzeneAcOHOHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,763   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3110_52BenzeneAcOHOHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,764   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3111_52BenzeneAcOHOHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,765   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3112_52BenzeneAcOHOHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,767   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3113_52BenzeneAcOHOHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,768   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3114_52BenzeneAcOHOHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,769   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3115_53BenzeneAcNH2NHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,771   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3116_53BenzeneAcNH2NHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,772   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,773   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,774   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3117_53BenzeneAcNH2NHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,775   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3118_53BenzeneAcNH2NHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,777   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3119_53BenzeneAcNH2NHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,778   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3120_53BenzeneAcNH2NHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,779   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3121_53BenzeneAcNH2NHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,780   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3122_53BenzeneAcNH2NHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,782   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3123_54BenzeneWaterOHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,783   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3124_54BenzeneWaterOHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,784   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,785   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,786   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3125_54BenzeneWaterOHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,788   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3126_54BenzeneWaterOHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,789   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3127_54BenzeneWaterOHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,790   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3128_54BenzeneWaterOHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,791   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3129_54BenzeneWaterOHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,792   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3130_54BenzeneWaterOHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,794   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3131_55BenzeneMeOHOHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,795   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3132_55BenzeneMeOHOHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,796   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,797   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,798   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3133_55BenzeneMeOHOHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,800   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3134_55BenzeneMeOHOHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,801   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3135_55BenzeneMeOHOHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,802   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3136_55BenzeneMeOHOHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,803   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3137_55BenzeneMeOHOHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,804   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3138_55BenzeneMeOHOHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,805   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3139_56BenzeneMeNH2NHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,807   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3140_56BenzeneMeNH2NHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,808   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,809   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,811   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3141_56BenzeneMeNH2NHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,812   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3142_56BenzeneMeNH2NHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,813   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3143_56BenzeneMeNH2NHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,815   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3144_56BenzeneMeNH2NHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,816   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3145_56BenzeneMeNH2NHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,817   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3146_56BenzeneMeNH2NHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,818   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3147_57BenzenePeptideNHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,820   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3148_57BenzenePeptideNHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,821   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,822   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,823   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3149_57BenzenePeptideNHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,824   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3150_57BenzenePeptideNHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,826   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3151_57BenzenePeptideNHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,827   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3152_57BenzenePeptideNHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,828   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3153_57BenzenePeptideNHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,829   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3154_57BenzenePeptideNHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,830   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3155_58PyridinePyridineCHN090_dim_S66x8.xyz'
2025-06-01T03:28:17,832   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3156_58PyridinePyridineCHN095_dim_S66x8.xyz'
2025-06-01T03:28:17,833   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_dim_S66x8.xyz'
2025-06-01T03:28:17,834   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monA_S66x8.xyz'
2025-06-01T03:28:17,835   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3157_58PyridinePyridineCHN100_monB_S66x8.xyz'
2025-06-01T03:28:17,836   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3158_58PyridinePyridineCHN105_dim_S66x8.xyz'
2025-06-01T03:28:17,838   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3159_58PyridinePyridineCHN110_dim_S66x8.xyz'
2025-06-01T03:28:17,839   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3160_58PyridinePyridineCHN125_dim_S66x8.xyz'
2025-06-01T03:28:17,840   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3161_58PyridinePyridineCHN150_dim_S66x8.xyz'
2025-06-01T03:28:17,841   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3162_58PyridinePyridineCHN200_dim_S66x8.xyz'
2025-06-01T03:28:17,843   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3163_59EthyneWaterCHO090_dim_S66x8.xyz'
2025-06-01T03:28:17,844   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3164_59EthyneWaterCHO095_dim_S66x8.xyz'
2025-06-01T03:28:17,845   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_dim_S66x8.xyz'
2025-06-01T03:28:17,846   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monA_S66x8.xyz'
2025-06-01T03:28:17,847   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3165_59EthyneWaterCHO100_monB_S66x8.xyz'
2025-06-01T03:28:17,848   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3166_59EthyneWaterCHO105_dim_S66x8.xyz'
2025-06-01T03:28:17,849   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3167_59EthyneWaterCHO110_dim_S66x8.xyz'
2025-06-01T03:28:17,851   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3168_59EthyneWaterCHO125_dim_S66x8.xyz'
2025-06-01T03:28:17,852   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3169_59EthyneWaterCHO150_dim_S66x8.xyz'
2025-06-01T03:28:17,853   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3170_59EthyneWaterCHO200_dim_S66x8.xyz'
2025-06-01T03:28:17,854   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3171_60EthyneAcOHOHpi090_dim_S66x8.xyz'
2025-06-01T03:28:17,855   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3172_60EthyneAcOHOHpi095_dim_S66x8.xyz'
2025-06-01T03:28:17,856   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_dim_S66x8.xyz'
2025-06-01T03:28:17,858   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monA_S66x8.xyz'
2025-06-01T03:28:17,859   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3173_60EthyneAcOHOHpi100_monB_S66x8.xyz'
2025-06-01T03:28:17,860   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3174_60EthyneAcOHOHpi105_dim_S66x8.xyz'
2025-06-01T03:28:17,861   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3175_60EthyneAcOHOHpi110_dim_S66x8.xyz'
2025-06-01T03:28:17,863   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3176_60EthyneAcOHOHpi125_dim_S66x8.xyz'
2025-06-01T03:28:17,864   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3177_60EthyneAcOHOHpi150_dim_S66x8.xyz'
2025-06-01T03:28:17,865   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3178_60EthyneAcOHOHpi200_dim_S66x8.xyz'
2025-06-01T03:28:17,866   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3179_61PentaneAcOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,867   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3180_61PentaneAcOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,869   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,870   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,871   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3181_61PentaneAcOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,872   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3182_61PentaneAcOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,873   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3183_61PentaneAcOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,875   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3184_61PentaneAcOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,876   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3185_61PentaneAcOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,877   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3186_61PentaneAcOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,878   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3187_62PentaneAcNH2090_dim_S66x8.xyz'
2025-06-01T03:28:17,880   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3188_62PentaneAcNH2095_dim_S66x8.xyz'
2025-06-01T03:28:17,881   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_dim_S66x8.xyz'
2025-06-01T03:28:17,882   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monA_S66x8.xyz'
2025-06-01T03:28:17,883   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3189_62PentaneAcNH2100_monB_S66x8.xyz'
2025-06-01T03:28:17,884   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3190_62PentaneAcNH2105_dim_S66x8.xyz'
2025-06-01T03:28:17,886   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3191_62PentaneAcNH2110_dim_S66x8.xyz'
2025-06-01T03:28:17,887   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3192_62PentaneAcNH2125_dim_S66x8.xyz'
2025-06-01T03:28:17,888   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3193_62PentaneAcNH2150_dim_S66x8.xyz'
2025-06-01T03:28:17,889   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3194_62PentaneAcNH2200_dim_S66x8.xyz'
2025-06-01T03:28:17,890   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3195_63BenzeneAcOH090_dim_S66x8.xyz'
2025-06-01T03:28:17,891   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3196_63BenzeneAcOH095_dim_S66x8.xyz'
2025-06-01T03:28:17,893   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_dim_S66x8.xyz'
2025-06-01T03:28:17,894   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monA_S66x8.xyz'
2025-06-01T03:28:17,895   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3197_63BenzeneAcOH100_monB_S66x8.xyz'
2025-06-01T03:28:17,896   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3198_63BenzeneAcOH105_dim_S66x8.xyz'
2025-06-01T03:28:17,897   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3199_63BenzeneAcOH110_dim_S66x8.xyz'
2025-06-01T03:28:17,898   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3200_63BenzeneAcOH125_dim_S66x8.xyz'
2025-06-01T03:28:17,900   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3201_63BenzeneAcOH150_dim_S66x8.xyz'
2025-06-01T03:28:17,901   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3202_63BenzeneAcOH200_dim_S66x8.xyz'
2025-06-01T03:28:17,902   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3203_64PeptideEthene090_dim_S66x8.xyz'
2025-06-01T03:28:17,903   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3204_64PeptideEthene095_dim_S66x8.xyz'
2025-06-01T03:28:17,904   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_dim_S66x8.xyz'
2025-06-01T03:28:17,906   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monA_S66x8.xyz'
2025-06-01T03:28:17,907   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3205_64PeptideEthene100_monB_S66x8.xyz'
2025-06-01T03:28:17,908   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3206_64PeptideEthene105_dim_S66x8.xyz'
2025-06-01T03:28:17,909   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3207_64PeptideEthene110_dim_S66x8.xyz'
2025-06-01T03:28:17,910   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3208_64PeptideEthene125_dim_S66x8.xyz'
2025-06-01T03:28:17,912   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3209_64PeptideEthene150_dim_S66x8.xyz'
2025-06-01T03:28:17,914   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3210_64PeptideEthene200_dim_S66x8.xyz'
2025-06-01T03:28:17,915   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3211_65PyridineEthyne090_dim_S66x8.xyz'
2025-06-01T03:28:17,916   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3212_65PyridineEthyne095_dim_S66x8.xyz'
2025-06-01T03:28:17,918   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_dim_S66x8.xyz'
2025-06-01T03:28:17,919   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monA_S66x8.xyz'
2025-06-01T03:28:17,920   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3213_65PyridineEthyne100_monB_S66x8.xyz'
2025-06-01T03:28:17,921   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3214_65PyridineEthyne105_dim_S66x8.xyz'
2025-06-01T03:28:17,923   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3215_65PyridineEthyne110_dim_S66x8.xyz'
2025-06-01T03:28:17,924   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3216_65PyridineEthyne125_dim_S66x8.xyz'
2025-06-01T03:28:17,925   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3217_65PyridineEthyne150_dim_S66x8.xyz'
2025-06-01T03:28:17,926   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3218_65PyridineEthyne200_dim_S66x8.xyz'
2025-06-01T03:28:17,927   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3219_66MeNH2Pyridine090_dim_S66x8.xyz'
2025-06-01T03:28:17,929   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3220_66MeNH2Pyridine095_dim_S66x8.xyz'
2025-06-01T03:28:17,930   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_dim_S66x8.xyz'
2025-06-01T03:28:17,931   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monA_S66x8.xyz'
2025-06-01T03:28:17,932   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3221_66MeNH2Pyridine100_monB_S66x8.xyz'
2025-06-01T03:28:17,933   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3222_66MeNH2Pyridine105_dim_S66x8.xyz'
2025-06-01T03:28:17,934   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3223_66MeNH2Pyridine110_dim_S66x8.xyz'
2025-06-01T03:28:17,935   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3224_66MeNH2Pyridine125_dim_S66x8.xyz'
2025-06-01T03:28:17,936   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3225_66MeNH2Pyridine150_dim_S66x8.xyz'
2025-06-01T03:28:17,938   adding 'xcbm/MGCDB84_Dataset/Geometries/S66x8/3226_66MeNH2Pyridine200_dim_S66x8.xyz'
2025-06-01T03:28:17,939   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/101_acetaldehyde_W4-11.xyz'
2025-06-01T03:28:17,941   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/129_c2h5f_W4-11.xyz'
2025-06-01T03:28:17,942   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/130_c2h6_W4-11.xyz'
2025-06-01T03:28:17,943   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/139_ch2f2_W4-11.xyz'
2025-06-01T03:28:17,944   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/144_ch3_W4-11.xyz'
2025-06-01T03:28:17,945   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/145_ch3f_W4-11.xyz'
2025-06-01T03:28:17,946   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/146_ch3nh2_W4-11.xyz'
2025-06-01T03:28:17,947   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/147_ch3nh_W4-11.xyz'
2025-06-01T03:28:17,948   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/148_ch4_W4-11.xyz'
2025-06-01T03:28:17,950   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/168_f2co_W4-11.xyz'
2025-06-01T03:28:17,951   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/172_f_W4-11.xyz'
2025-06-01T03:28:17,952   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/176_glyoxal_W4-11.xyz'
2025-06-01T03:28:17,953   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/178_h2co_W4-11.xyz'
2025-06-01T03:28:17,954   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/187_hco_W4-11.xyz'
2025-06-01T03:28:17,955   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/188_hcof_W4-11.xyz'
2025-06-01T03:28:17,956   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/189_h_W4-11.xyz'
2025-06-01T03:28:17,958   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/203_methanol_W4-11.xyz'
2025-06-01T03:28:17,959   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/211_nh2_W4-11.xyz'
2025-06-01T03:28:17,960   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/213_nh_W4-11.xyz'
2025-06-01T03:28:17,961   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/222_oh_W4-11.xyz'
2025-06-01T03:28:17,963   adding 'xcbm/MGCDB84_Dataset/Geometries/SN13/229_propane_W4-11.xyz'
2025-06-01T03:28:17,965   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.3.3-1_SW49.xyz'
2025-06-01T03:28:17,966   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.1-1_SW49.xyz'
2025-06-01T03:28:17,967   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.4.2-1_SW49.xyz'
2025-06-01T03:28:17,968   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-1_SW49.xyz'
2025-06-01T03:28:17,970   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-2_SW49.xyz'
2025-06-01T03:28:17,971   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.5.1-3_SW49.xyz'
2025-06-01T03:28:17,972   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-1_SW49.xyz'
2025-06-01T03:28:17,973   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-2_SW49.xyz'
2025-06-01T03:28:17,975   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/3.6.0-3_SW49.xyz'
2025-06-01T03:28:17,976   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.4.4-1_SW49.xyz'
2025-06-01T03:28:17,977   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-1_SW49.xyz'
2025-06-01T03:28:17,978   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.5.3-2_SW49.xyz'
2025-06-01T03:28:17,980   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-1_SW49.xyz'
2025-06-01T03:28:17,981   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.6.2-2_SW49.xyz'
2025-06-01T03:28:17,982   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-1_SW49.xyz'
2025-06-01T03:28:17,983   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.7.1-2_SW49.xyz'
2025-06-01T03:28:17,984   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-1_SW49.xyz'
2025-06-01T03:28:17,985   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-2_SW49.xyz'
2025-06-01T03:28:17,986   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/4.8.0-3_SW49.xyz'
2025-06-01T03:28:17,988   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.10.0-1_SW49.xyz'
2025-06-01T03:28:17,989   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-1_SW49.xyz'
2025-06-01T03:28:17,990   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-2_SW49.xyz'
2025-06-01T03:28:17,991   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-3_SW49.xyz'
2025-06-01T03:28:17,993   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-4_SW49.xyz'
2025-06-01T03:28:17,994   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-5_SW49.xyz'
2025-06-01T03:28:17,995   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-6_SW49.xyz'
2025-06-01T03:28:17,996   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-7_SW49.xyz'
2025-06-01T03:28:17,997   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.6.4-8_SW49.xyz'
2025-06-01T03:28:17,999   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-1_SW49.xyz'
2025-06-01T03:28:18,000   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.7.3-2_SW49.xyz'
2025-06-01T03:28:18,001   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/5.9.1-1_SW49.xyz'
2025-06-01T03:28:18,002   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Bind345/h2o_SW49.xyz'
2025-06-01T03:28:18,004   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.3.3-1_SW49.xyz'
2025-06-01T03:28:18,005   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.1-1_SW49.xyz'
2025-06-01T03:28:18,007   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.4.2-1_SW49.xyz'
2025-06-01T03:28:18,008   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-1_SW49.xyz'
2025-06-01T03:28:18,009   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-2_SW49.xyz'
2025-06-01T03:28:18,010   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.5.1-3_SW49.xyz'
2025-06-01T03:28:18,011   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-1_SW49.xyz'
2025-06-01T03:28:18,013   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-2_SW49.xyz'
2025-06-01T03:28:18,014   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/3.6.0-3_SW49.xyz'
2025-06-01T03:28:18,015   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.4.4-1_SW49.xyz'
2025-06-01T03:28:18,016   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-1_SW49.xyz'
2025-06-01T03:28:18,017   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.5.3-2_SW49.xyz'
2025-06-01T03:28:18,019   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-1_SW49.xyz'
2025-06-01T03:28:18,020   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.6.2-2_SW49.xyz'
2025-06-01T03:28:18,021   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-1_SW49.xyz'
2025-06-01T03:28:18,022   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.7.1-2_SW49.xyz'
2025-06-01T03:28:18,024   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-1_SW49.xyz'
2025-06-01T03:28:18,025   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-2_SW49.xyz'
2025-06-01T03:28:18,026   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/4.8.0-3_SW49.xyz'
2025-06-01T03:28:18,027   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.10.0-1_SW49.xyz'
2025-06-01T03:28:18,028   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-1_SW49.xyz'
2025-06-01T03:28:18,030   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-2_SW49.xyz'
2025-06-01T03:28:18,031   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-3_SW49.xyz'
2025-06-01T03:28:18,032   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-4_SW49.xyz'
2025-06-01T03:28:18,033   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-5_SW49.xyz'
2025-06-01T03:28:18,035   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-6_SW49.xyz'
2025-06-01T03:28:18,036   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-7_SW49.xyz'
2025-06-01T03:28:18,037   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.6.4-8_SW49.xyz'
2025-06-01T03:28:18,038   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-1_SW49.xyz'
2025-06-01T03:28:18,039   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.7.3-2_SW49.xyz'
2025-06-01T03:28:18,040   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel345/5.9.1-1_SW49.xyz'
2025-06-01T03:28:18,042   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.12.0-1_SW49.xyz'
2025-06-01T03:28:18,043   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-1_SW49.xyz'
2025-06-01T03:28:18,045   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.6.6-2_SW49.xyz'
2025-06-01T03:28:18,046   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-1_SW49.xyz'
2025-06-01T03:28:18,047   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-2_SW49.xyz'
2025-06-01T03:28:18,048   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-3_SW49.xyz'
2025-06-01T03:28:18,049   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-4_SW49.xyz'
2025-06-01T03:28:18,051   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-5_SW49.xyz'
2025-06-01T03:28:18,052   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.7.5-6_SW49.xyz'
2025-06-01T03:28:18,053   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-1_SW49.xyz'
2025-06-01T03:28:18,054   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-2_SW49.xyz'
2025-06-01T03:28:18,055   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-3_SW49.xyz'
2025-06-01T03:28:18,057   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-4_SW49.xyz'
2025-06-01T03:28:18,058   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-5_SW49.xyz'
2025-06-01T03:28:18,059   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-6_SW49.xyz'
2025-06-01T03:28:18,060   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-7_SW49.xyz'
2025-06-01T03:28:18,062   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.8.4-8_SW49.xyz'
2025-06-01T03:28:18,063   adding 'xcbm/MGCDB84_Dataset/Geometries/SW49Rel6/6.9.3-1_SW49.xyz'
2025-06-01T03:28:18,065   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4179_water2Cs_Shields38.xyz'
2025-06-01T03:28:18,066   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4180_water3UUD_Shields38.xyz'
2025-06-01T03:28:18,067   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4181_water3UUU_Shields38.xyz'
2025-06-01T03:28:18,069   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4182_water4S4_Shields38.xyz'
2025-06-01T03:28:18,070   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4183_water4Ci_Shields38.xyz'
2025-06-01T03:28:18,071   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4184_water4Py_Shields38.xyz'
2025-06-01T03:28:18,072   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4185_water5CYC_Shields38.xyz'
2025-06-01T03:28:18,073   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4186_water5CAA_Shields38.xyz'
2025-06-01T03:28:18,074   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4187_water5CAB_Shields38.xyz'
2025-06-01T03:28:18,076   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4188_water5CAC_Shields38.xyz'
2025-06-01T03:28:18,077   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4189_water5FRA_Shields38.xyz'
2025-06-01T03:28:18,078   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4190_water5FRB_Shields38.xyz'
2025-06-01T03:28:18,079   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4191_water5FRC_Shields38.xyz'
2025-06-01T03:28:18,081   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4192_water6BAG_Shields38.xyz'
2025-06-01T03:28:18,082   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4193_water6BK1_Shields38.xyz'
2025-06-01T03:28:18,083   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4194_water6BK2_Shields38.xyz'
2025-06-01T03:28:18,084   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4195_water6CA_Shields38.xyz'
2025-06-01T03:28:18,085   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4196_water6CB1_Shields38.xyz'
2025-06-01T03:28:18,087   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4197_water6CB2_Shields38.xyz'
2025-06-01T03:28:18,088   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4198_water6CC_Shields38.xyz'
2025-06-01T03:28:18,089   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4199_water6PR_Shields38.xyz'
2025-06-01T03:28:18,090   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4200_water7PR3_Shields38.xyz'
2025-06-01T03:28:18,091   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4201_water7BI2_Shields38.xyz'
2025-06-01T03:28:18,092   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4202_water7BI1_Shields38.xyz'
2025-06-01T03:28:18,094   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4203_water7PR1_Shields38.xyz'
2025-06-01T03:28:18,095   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4204_water7CH3_Shields38.xyz'
2025-06-01T03:28:18,096   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4205_water7CH2_Shields38.xyz'
2025-06-01T03:28:18,097   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4206_water7CA2_Shields38.xyz'
2025-06-01T03:28:18,099   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4207_water7HM1_Shields38.xyz'
2025-06-01T03:28:18,100   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4208_water7CA1_Shields38.xyz'
2025-06-01T03:28:18,101   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4209_water7PR2_Shields38.xyz'
2025-06-01T03:28:18,102   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4210_water7CH1_Shields38.xyz'
2025-06-01T03:28:18,103   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4211_water8D2d_Shields38.xyz'
2025-06-01T03:28:18,104   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4212_water8S4_Shields38.xyz'
2025-06-01T03:28:18,106   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4213_water9D2dDD_Shields38.xyz'
2025-06-01T03:28:18,107   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4214_water9S4DA_Shields38.xyz'
2025-06-01T03:28:18,108   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4215_water10PP1_Shields38.xyz'
2025-06-01T03:28:18,109   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4216_water10PP2_Shields38.xyz'
2025-06-01T03:28:18,111   adding 'xcbm/MGCDB84_Dataset/Geometries/Sheilds38/4217_waterC2v_Shields38.xyz'
2025-06-01T03:28:18,113   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4179_water2Cs_Shields38.xyz'
2025-06-01T03:28:18,114   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4180_water3UUD_Shields38.xyz'
2025-06-01T03:28:18,115   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4181_water3UUU_Shields38.xyz'
2025-06-01T03:28:18,117   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4182_water4S4_Shields38.xyz'
2025-06-01T03:28:18,118   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4183_water4Ci_Shields38.xyz'
2025-06-01T03:28:18,119   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4184_water4Py_Shields38.xyz'
2025-06-01T03:28:18,120   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4185_water5CYC_Shields38.xyz'
2025-06-01T03:28:18,121   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4186_water5CAA_Shields38.xyz'
2025-06-01T03:28:18,123   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4187_water5CAB_Shields38.xyz'
2025-06-01T03:28:18,124   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4188_water5CAC_Shields38.xyz'
2025-06-01T03:28:18,125   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4189_water5FRA_Shields38.xyz'
2025-06-01T03:28:18,126   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4190_water5FRB_Shields38.xyz'
2025-06-01T03:28:18,127   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4191_water5FRC_Shields38.xyz'
2025-06-01T03:28:18,129   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4192_water6BAG_Shields38.xyz'
2025-06-01T03:28:18,130   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4193_water6BK1_Shields38.xyz'
2025-06-01T03:28:18,131   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4194_water6BK2_Shields38.xyz'
2025-06-01T03:28:18,132   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4195_water6CA_Shields38.xyz'
2025-06-01T03:28:18,134   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4196_water6CB1_Shields38.xyz'
2025-06-01T03:28:18,135   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4197_water6CB2_Shields38.xyz'
2025-06-01T03:28:18,136   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4198_water6CC_Shields38.xyz'
2025-06-01T03:28:18,137   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4199_water6PR_Shields38.xyz'
2025-06-01T03:28:18,139   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4200_water7PR3_Shields38.xyz'
2025-06-01T03:28:18,140   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4201_water7BI2_Shields38.xyz'
2025-06-01T03:28:18,141   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4202_water7BI1_Shields38.xyz'
2025-06-01T03:28:18,142   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4203_water7PR1_Shields38.xyz'
2025-06-01T03:28:18,144   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4204_water7CH3_Shields38.xyz'
2025-06-01T03:28:18,145   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4205_water7CH2_Shields38.xyz'
2025-06-01T03:28:18,146   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4206_water7CA2_Shields38.xyz'
2025-06-01T03:28:18,147   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4207_water7HM1_Shields38.xyz'
2025-06-01T03:28:18,148   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4208_water7CA1_Shields38.xyz'
2025-06-01T03:28:18,150   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4209_water7PR2_Shields38.xyz'
2025-06-01T03:28:18,151   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4210_water7CH1_Shields38.xyz'
2025-06-01T03:28:18,152   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4211_water8D2d_Shields38.xyz'
2025-06-01T03:28:18,154   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4212_water8S4_Shields38.xyz'
2025-06-01T03:28:18,155   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4213_water9D2dDD_Shields38.xyz'
2025-06-01T03:28:18,156   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4214_water9S4DA_Shields38.xyz'
2025-06-01T03:28:18,157   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4215_water10PP1_Shields38.xyz'
2025-06-01T03:28:18,159   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4216_water10PP2_Shields38.xyz'
2025-06-01T03:28:18,160   adding 'xcbm/MGCDB84_Dataset/Geometries/Shields38/4217_waterC2v_Shields38.xyz'
2025-06-01T03:28:18,163   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/11_Isomer1_Styrene45.xyz'
2025-06-01T03:28:18,164   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/12_Isomer2_Styrene45.xyz'
2025-06-01T03:28:18,165   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/13_Isomer3_Styrene45.xyz'
2025-06-01T03:28:18,166   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/14_Isomer4_Styrene45.xyz'
2025-06-01T03:28:18,168   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/15_Isomer5_Styrene45.xyz'
2025-06-01T03:28:18,169   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/16_Isomer6_Styrene45.xyz'
2025-06-01T03:28:18,170   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/17_Isomer7_Styrene45.xyz'
2025-06-01T03:28:18,171   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/18_Isomer8_Styrene45.xyz'
2025-06-01T03:28:18,173   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/19_Isomer9_Styrene45.xyz'
2025-06-01T03:28:18,174   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/20_Isomer10_Styrene45.xyz'
2025-06-01T03:28:18,175   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/21_Isomer11_Styrene45.xyz'
2025-06-01T03:28:18,176   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/22_Isomer12_Styrene45.xyz'
2025-06-01T03:28:18,178   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/23_Isomer13_Styrene45.xyz'
2025-06-01T03:28:18,179   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/24_Isomer14_Styrene45.xyz'
2025-06-01T03:28:18,180   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/25_Isomer15_Styrene45.xyz'
2025-06-01T03:28:18,182   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/26_Isomer16_Styrene45.xyz'
2025-06-01T03:28:18,183   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/27_Isomer17_Styrene45.xyz'
2025-06-01T03:28:18,184   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/28_Isomer18_Styrene45.xyz'
2025-06-01T03:28:18,185   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/29_Isomer19_Styrene45.xyz'
2025-06-01T03:28:18,187   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/30_Isomer20_Styrene45.xyz'
2025-06-01T03:28:18,188   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/31_Isomer21_Styrene45.xyz'
2025-06-01T03:28:18,189   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/32_Isomer22_Styrene45.xyz'
2025-06-01T03:28:18,190   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/33_Isomer23_Styrene45.xyz'
2025-06-01T03:28:18,191   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/34_Isomer24_Styrene45.xyz'
2025-06-01T03:28:18,192   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/35_Isomer25_Styrene45.xyz'
2025-06-01T03:28:18,194   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/36_Isomer26_Styrene45.xyz'
2025-06-01T03:28:18,195   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/37_Isomer27_Styrene45.xyz'
2025-06-01T03:28:18,196   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/38_Isomer28_Styrene45.xyz'
2025-06-01T03:28:18,197   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/39_Isomer29_Styrene45.xyz'
2025-06-01T03:28:18,198   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/40_Isomer30_Styrene45.xyz'
2025-06-01T03:28:18,200   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/41_Isomer31_Styrene45.xyz'
2025-06-01T03:28:18,201   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/42_Isomer32_Styrene45.xyz'
2025-06-01T03:28:18,202   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/43_Isomer33_Styrene45.xyz'
2025-06-01T03:28:18,203   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/44_Isomer34_Styrene45.xyz'
2025-06-01T03:28:18,205   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/45_Isomer35_Styrene45.xyz'
2025-06-01T03:28:18,206   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/46_Isomer36_Styrene45.xyz'
2025-06-01T03:28:18,207   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/47_Isomer37_Styrene45.xyz'
2025-06-01T03:28:18,208   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/48_Isomer38_Styrene45.xyz'
2025-06-01T03:28:18,209   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/49_Isomer39_Styrene45.xyz'
2025-06-01T03:28:18,211   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/50_Isomer40_Styrene45.xyz'
2025-06-01T03:28:18,212   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/51_Isomer41_Styrene45.xyz'
2025-06-01T03:28:18,213   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/52_Isomer42_Styrene45.xyz'
2025-06-01T03:28:18,214   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/53_Isomer43_Styrene45.xyz'
2025-06-01T03:28:18,215   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/54_Isomer44_Styrene45.xyz'
2025-06-01T03:28:18,217   adding 'xcbm/MGCDB84_Dataset/Geometries/Styrene45/55_Isomer45_Styrene45.xyz'
2025-06-01T03:28:18,219   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/11_H2O_TA13.xyz'
2025-06-01T03:28:18,220   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/12_HF_TA13.xyz'
2025-06-01T03:28:18,221   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/13_BH2_TA13.xyz'
2025-06-01T03:28:18,223   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/14_CH3_TA13.xyz'
2025-06-01T03:28:18,224   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/15_CO+_TA13.xyz'
2025-06-01T03:28:18,225   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/16_NH2_TA13.xyz'
2025-06-01T03:28:18,226   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/17_NH3+_TA13.xyz'
2025-06-01T03:28:18,227   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/18_OH_TA13.xyz'
2025-06-01T03:28:18,228   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/19_H2O-Al_TA13.xyz'
2025-06-01T03:28:18,230   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/20_H2O-Be+_TA13.xyz'
2025-06-01T03:28:18,231   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/21_H2O-Br_TA13.xyz'
2025-06-01T03:28:18,232   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/22_HOH-CH3_TA13.xyz'
2025-06-01T03:28:18,233   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/23_H2O-Cl_TA13.xyz'
2025-06-01T03:28:18,235   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/24_H2O-F_TA13.xyz'
2025-06-01T03:28:18,236   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/25_H2O-Li_TA13.xyz'
2025-06-01T03:28:18,237   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/26_H2O-HNH2+_TA13.xyz'
2025-06-01T03:28:18,238   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/27_H2O-NH3+_TA13.xyz'
2025-06-01T03:28:18,239   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/28_FH-BH2_TA13.xyz'
2025-06-01T03:28:18,240   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/29_HF-CO+_TA13.xyz'
2025-06-01T03:28:18,242   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/30_FH-NH2_TA13.xyz'
2025-06-01T03:28:18,243   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/31_FH-OH_TA13.xyz'
2025-06-01T03:28:18,244   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/32_al_TA13.xyz'
2025-06-01T03:28:18,245   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/33_be+_TA13.xyz'
2025-06-01T03:28:18,246   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/34_br_TA13.xyz'
2025-06-01T03:28:18,247   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/35_cl_TA13.xyz'
2025-06-01T03:28:18,248   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/36_f_TA13.xyz'
2025-06-01T03:28:18,250   adding 'xcbm/MGCDB84_Dataset/Geometries/TA13/37_li_TA13.xyz'
2025-06-01T03:28:18,254   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/101_acetaldehyde_W4-11.xyz'
2025-06-01T03:28:18,255   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/102_acetic_W4-11.xyz'
2025-06-01T03:28:18,256   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/103_alcl3_W4-11.xyz'
2025-06-01T03:28:18,257   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/104_alcl_W4-11.xyz'
2025-06-01T03:28:18,259   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/105_al_W4-11.xyz'
2025-06-01T03:28:18,260   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/106_alf3_W4-11.xyz'
2025-06-01T03:28:18,261   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/107_alf_W4-11.xyz'
2025-06-01T03:28:18,262   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/108_alh3_W4-11.xyz'
2025-06-01T03:28:18,264   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/109_alh_W4-11.xyz'
2025-06-01T03:28:18,265   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/110_allene_W4-11.xyz'
2025-06-01T03:28:18,266   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/111_b2_W4-11.xyz'
2025-06-01T03:28:18,267   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/112_b2h6_W4-11.xyz'
2025-06-01T03:28:18,268   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/113_b_W4-11.xyz'
2025-06-01T03:28:18,270   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/114_be2_W4-11.xyz'
2025-06-01T03:28:18,271   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/115_becl2_W4-11.xyz'
2025-06-01T03:28:18,272   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/116_be_W4-11.xyz'
2025-06-01T03:28:18,273   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/117_bef2_W4-11.xyz'
2025-06-01T03:28:18,275   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/118_bf3_W4-11.xyz'
2025-06-01T03:28:18,276   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/119_bf_W4-11.xyz'
2025-06-01T03:28:18,277   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/120_bh3_W4-11.xyz'
2025-06-01T03:28:18,278   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/121_bh_W4-11.xyz'
2025-06-01T03:28:18,279   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/122_bhf2_W4-11.xyz'
2025-06-01T03:28:18,281   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/123_bn3pi_W4-11.xyz'
2025-06-01T03:28:18,282   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/124_bn_W4-11.xyz'
2025-06-01T03:28:18,283   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/125_c2_W4-11.xyz'
2025-06-01T03:28:18,284   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/126_c2h2_W4-11.xyz'
2025-06-01T03:28:18,286   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/127_c2h3f_W4-11.xyz'
2025-06-01T03:28:18,287   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/128_c2h4_W4-11.xyz'
2025-06-01T03:28:18,288   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/129_c2h5f_W4-11.xyz'
2025-06-01T03:28:18,289   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/130_c2h6_W4-11.xyz'
2025-06-01T03:28:18,291   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/131_cch_W4-11.xyz'
2025-06-01T03:28:18,292   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/132_ccl2_W4-11.xyz'
2025-06-01T03:28:18,293   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/133_c_W4-11.xyz'
2025-06-01T03:28:18,294   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/134_cf2_W4-11.xyz'
2025-06-01T03:28:18,295   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/135_cf4_W4-11.xyz'
2025-06-01T03:28:18,296   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/136_cf_W4-11.xyz'
2025-06-01T03:28:18,297   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/137_ch2c_W4-11.xyz'
2025-06-01T03:28:18,299   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/138_ch2ch_W4-11.xyz'
2025-06-01T03:28:18,300   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/139_ch2f2_W4-11.xyz'
2025-06-01T03:28:18,301   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/140_ch2nh2_W4-11.xyz'
2025-06-01T03:28:18,302   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/141_ch2nh_W4-11.xyz'
2025-06-01T03:28:18,303   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/142_ch2-sing_W4-11.xyz'
2025-06-01T03:28:18,304   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/143_ch2-trip_W4-11.xyz'
2025-06-01T03:28:18,305   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/144_ch3_W4-11.xyz'
2025-06-01T03:28:18,306   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/145_ch3f_W4-11.xyz'
2025-06-01T03:28:18,308   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/146_ch3nh2_W4-11.xyz'
2025-06-01T03:28:18,309   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/147_ch3nh_W4-11.xyz'
2025-06-01T03:28:18,310   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/148_ch4_W4-11.xyz'
2025-06-01T03:28:18,311   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/149_c-hcoh_W4-11.xyz'
2025-06-01T03:28:18,312   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/150_ch_W4-11.xyz'
2025-06-01T03:28:18,313   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/151_c-hono_W4-11.xyz'
2025-06-01T03:28:18,314   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/152_c-hooo_W4-11.xyz'
2025-06-01T03:28:18,315   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/153_cl2_W4-11.xyz'
2025-06-01T03:28:18,317   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/154_cl2o_W4-11.xyz'
2025-06-01T03:28:18,318   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/155_clcn_W4-11.xyz'
2025-06-01T03:28:18,319   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/156_cl_W4-11.xyz'
2025-06-01T03:28:18,320   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/157_clf_W4-11.xyz'
2025-06-01T03:28:18,322   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/158_clo_W4-11.xyz'
2025-06-01T03:28:18,323   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/159_cloo_W4-11.xyz'
2025-06-01T03:28:18,324   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/160_c-n2h2_W4-11.xyz'
2025-06-01T03:28:18,325   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/161_cn_W4-11.xyz'
2025-06-01T03:28:18,326   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/162_co2_W4-11.xyz'
2025-06-01T03:28:18,327   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/163_co_W4-11.xyz'
2025-06-01T03:28:18,329   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/164_cs2_W4-11.xyz'
2025-06-01T03:28:18,330   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/165_cs_W4-11.xyz'
2025-06-01T03:28:18,331   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/166_dioxirane_W4-11.xyz'
2025-06-01T03:28:18,332   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/167_ethanol_W4-11.xyz'
2025-06-01T03:28:18,334   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/168_f2co_W4-11.xyz'
2025-06-01T03:28:18,335   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/169_f2_W4-11.xyz'
2025-06-01T03:28:18,336   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/170_f2o_W4-11.xyz'
2025-06-01T03:28:18,337   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/171_fccf_W4-11.xyz'
2025-06-01T03:28:18,339   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/172_f_W4-11.xyz'
2025-06-01T03:28:18,340   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/173_fo2_W4-11.xyz'
2025-06-01T03:28:18,341   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/174_foof_W4-11.xyz'
2025-06-01T03:28:18,343   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/175_formic_W4-11.xyz'
2025-06-01T03:28:18,344   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/176_glyoxal_W4-11.xyz'
2025-06-01T03:28:18,345   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/177_h2cn_W4-11.xyz'
2025-06-01T03:28:18,346   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/178_h2co_W4-11.xyz'
2025-06-01T03:28:18,347   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/179_h2_W4-11.xyz'
2025-06-01T03:28:18,348   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/180_h2o_W4-11.xyz'
2025-06-01T03:28:18,349   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/181_h2s_W4-11.xyz'
2025-06-01T03:28:18,350   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/182_hccf_W4-11.xyz'
2025-06-01T03:28:18,352   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/183_hcl_W4-11.xyz'
2025-06-01T03:28:18,353   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/184_hcn_W4-11.xyz'
2025-06-01T03:28:18,354   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/185_hcnh_W4-11.xyz'
2025-06-01T03:28:18,355   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/186_hcno_W4-11.xyz'
2025-06-01T03:28:18,356   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/187_hco_W4-11.xyz'
2025-06-01T03:28:18,358   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/188_hcof_W4-11.xyz'
2025-06-01T03:28:18,359   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/189_h_W4-11.xyz'
2025-06-01T03:28:18,360   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/190_hf_W4-11.xyz'
2025-06-01T03:28:18,361   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/191_hnc_W4-11.xyz'
2025-06-01T03:28:18,362   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/192_hnco_W4-11.xyz'
2025-06-01T03:28:18,363   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/193_hnnn_W4-11.xyz'
2025-06-01T03:28:18,365   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/194_hno_W4-11.xyz'
2025-06-01T03:28:18,366   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/195_hocl_W4-11.xyz'
2025-06-01T03:28:18,367   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/196_hocn_W4-11.xyz'
2025-06-01T03:28:18,369   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/197_hof_W4-11.xyz'
2025-06-01T03:28:18,370   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/198_honc_W4-11.xyz'
2025-06-01T03:28:18,371   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/199_hoo_W4-11.xyz'
2025-06-01T03:28:18,372   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/200_hooh_W4-11.xyz'
2025-06-01T03:28:18,373   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/201_hs_W4-11.xyz'
2025-06-01T03:28:18,375   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/202_ketene_W4-11.xyz'
2025-06-01T03:28:18,376   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/203_methanol_W4-11.xyz'
2025-06-01T03:28:18,377   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/204_n2_W4-11.xyz'
2025-06-01T03:28:18,378   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/205_n2h4_W4-11.xyz'
2025-06-01T03:28:18,380   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/206_n2h_W4-11.xyz'
2025-06-01T03:28:18,381   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/207_n2o_W4-11.xyz'
2025-06-01T03:28:18,382   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/208_nccn_W4-11.xyz'
2025-06-01T03:28:18,383   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/209_n_W4-11.xyz'
2025-06-01T03:28:18,385   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/210_nh2cl_W4-11.xyz'
2025-06-01T03:28:18,386   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/211_nh2_W4-11.xyz'
2025-06-01T03:28:18,387   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/212_nh3_W4-11.xyz'
2025-06-01T03:28:18,388   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/213_nh_W4-11.xyz'
2025-06-01T03:28:18,390   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/214_no2_W4-11.xyz'
2025-06-01T03:28:18,391   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/215_no_W4-11.xyz'
2025-06-01T03:28:18,392   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/216_o2_W4-11.xyz'
2025-06-01T03:28:18,393   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/217_o3_W4-11.xyz'
2025-06-01T03:28:18,395   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/218_oclo_W4-11.xyz'
2025-06-01T03:28:18,396   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/219_o_W4-11.xyz'
2025-06-01T03:28:18,397   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/220_ocs_W4-11.xyz'
2025-06-01T03:28:18,398   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/221_of_W4-11.xyz'
2025-06-01T03:28:18,399   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/222_oh_W4-11.xyz'
2025-06-01T03:28:18,400   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/223_oxirane_W4-11.xyz'
2025-06-01T03:28:18,402   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/224_oxirene_W4-11.xyz'
2025-06-01T03:28:18,403   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/225_p2_W4-11.xyz'
2025-06-01T03:28:18,404   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/226_p4_W4-11.xyz'
2025-06-01T03:28:18,405   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/227_p_W4-11.xyz'
2025-06-01T03:28:18,406   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/228_ph3_W4-11.xyz'
2025-06-01T03:28:18,407   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/229_propane_W4-11.xyz'
2025-06-01T03:28:18,408   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/230_propene_W4-11.xyz'
2025-06-01T03:28:18,409   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/231_propyne_W4-11.xyz'
2025-06-01T03:28:18,411   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/232_s2_W4-11.xyz'
2025-06-01T03:28:18,412   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/233_s2o_W4-11.xyz'
2025-06-01T03:28:18,413   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/234_s3_W4-11.xyz'
2025-06-01T03:28:18,414   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/235_s4-c2v_W4-11.xyz'
2025-06-01T03:28:18,415   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/236_s_W4-11.xyz'
2025-06-01T03:28:18,417   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/237_si2h6_W4-11.xyz'
2025-06-01T03:28:18,418   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/238_si_W4-11.xyz'
2025-06-01T03:28:18,419   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/239_sif4_W4-11.xyz'
2025-06-01T03:28:18,420   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/240_sif_W4-11.xyz'
2025-06-01T03:28:18,421   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/241_sih3f_W4-11.xyz'
2025-06-01T03:28:18,422   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/242_sih4_W4-11.xyz'
2025-06-01T03:28:18,424   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/243_sih_W4-11.xyz'
2025-06-01T03:28:18,425   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/244_sio_W4-11.xyz'
2025-06-01T03:28:18,426   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/245_so2_W4-11.xyz'
2025-06-01T03:28:18,427   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/246_so3_W4-11.xyz'
2025-06-01T03:28:18,428   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/247_so_W4-11.xyz'
2025-06-01T03:28:18,430   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/248_ssh_W4-11.xyz'
2025-06-01T03:28:18,431   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/249_t-hcoh_W4-11.xyz'
2025-06-01T03:28:18,432   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/250_t-hono_W4-11.xyz'
2025-06-01T03:28:18,433   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/251_t-hooo_W4-11.xyz'
2025-06-01T03:28:18,434   adding 'xcbm/MGCDB84_Dataset/Geometries/TAE140/252_t-n2h2_W4-11.xyz'
2025-06-01T03:28:18,437   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/11_H2O_WATER27.xyz'
2025-06-01T03:28:18,438   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/12_H2O2_WATER27.xyz'
2025-06-01T03:28:18,439   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/13_H2O3_WATER27.xyz'
2025-06-01T03:28:18,440   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/14_H2O4_WATER27.xyz'
2025-06-01T03:28:18,442   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/15_H2O5_WATER27.xyz'
2025-06-01T03:28:18,443   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/16_H2O6_WATER27.xyz'
2025-06-01T03:28:18,444   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/17_H2O6b_WATER27.xyz'
2025-06-01T03:28:18,446   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/18_H2O6c_WATER27.xyz'
2025-06-01T03:28:18,447   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/19_H2O6c2_WATER27.xyz'
2025-06-01T03:28:18,448   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/20_H2O8d2d_WATER27.xyz'
2025-06-01T03:28:18,449   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/21_H2O8s4_WATER27.xyz'
2025-06-01T03:28:18,450   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/22_H3Op_WATER27.xyz'
2025-06-01T03:28:18,451   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/23_H3OpH2O_WATER27.xyz'
2025-06-01T03:28:18,453   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/24_H3OpH2O2_WATER27.xyz'
2025-06-01T03:28:18,454   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/25_H3OpH2O3_WATER27.xyz'
2025-06-01T03:28:18,455   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/26_H3OpH2O62d_WATER27.xyz'
2025-06-01T03:28:18,456   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/27_H3OpH2O63d_WATER27.xyz'
2025-06-01T03:28:18,458   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/28_H3OpH2O6OHm_WATER27.xyz'
2025-06-01T03:28:18,459   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/29_OHm_WATER27.xyz'
2025-06-01T03:28:18,460   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/30_OHmH2O_WATER27.xyz'
2025-06-01T03:28:18,461   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/31_OHmH2O2_WATER27.xyz'
2025-06-01T03:28:18,462   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/32_OHmH2O3_WATER27.xyz'
2025-06-01T03:28:18,463   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/33_OHmH2O4c4_WATER27.xyz'
2025-06-01T03:28:18,465   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/34_OHmH2O4cs_WATER27.xyz'
2025-06-01T03:28:18,466   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/35_OHmH2O5_WATER27.xyz'
2025-06-01T03:28:18,467   adding 'xcbm/MGCDB84_Dataset/Geometries/WATER27/36_OHmH2O6_WATER27.xyz'
2025-06-01T03:28:18,469   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/11_Rxn1_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,471   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/12_Rxn2_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,472   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/13_Rxn3_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,473   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/14_Rxn4_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,474   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/15_Rxn5_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,476   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/16_Rxn6_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,477   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/17_Rxn7_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,478   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/18_Rxn8_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,479   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/19_Rxn9_TS_0cat_WCPT27.xyz'
2025-06-01T03:28:18,480   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/20_Rxn1_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,482   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/21_Rxn2_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,483   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/22_Rxn3_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,484   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/23_Rxn4_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,485   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/24_Rxn5_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,487   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/25_Rxn6_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,488   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/26_Rxn7_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,489   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/27_Rxn8_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,490   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/28_Rxn9_TS_1cat_WCPT27.xyz'
2025-06-01T03:28:18,492   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/29_Rxn1_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,493   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/30_Rxn2_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,494   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/31_Rxn3_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,495   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/32_Rxn4_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,497   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/33_Rxn5_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,498   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/34_Rxn6_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,499   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/35_Rxn7_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,500   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/36_Rxn8_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,502   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/37_Rxn9_TS_2cat_WCPT27.xyz'
2025-06-01T03:28:18,503   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/39_Rxn2_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,504   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/40_Rxn3_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,505   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/42_Rxn5_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,506   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/44_Rxn7_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,507   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/45_Rxn8_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,509   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/46_Rxn9_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,510   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/47_Rxn1_Product_WCPT27.xyz'
2025-06-01T03:28:18,511   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/48_Rxn2_Product_WCPT27.xyz'
2025-06-01T03:28:18,512   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/49_Rxn3_Product_WCPT27.xyz'
2025-06-01T03:28:18,513   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/50_Rxn4_Product_WCPT27.xyz'
2025-06-01T03:28:18,514   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/51_Rxn5_Product_WCPT27.xyz'
2025-06-01T03:28:18,516   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/52_Rxn6_Product_WCPT27.xyz'
2025-06-01T03:28:18,517   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/53_Rxn7_Product_WCPT27.xyz'
2025-06-01T03:28:18,518   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/54_Rxn8_Product_WCPT27.xyz'
2025-06-01T03:28:18,519   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/55_Rxn9_Product_WCPT27.xyz'
2025-06-01T03:28:18,520   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT27/56_Water_WCPT27.xyz'
2025-06-01T03:28:18,522   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/39_Rxn2_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,523   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/40_Rxn3_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,524   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/42_Rxn5_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,525   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/44_Rxn7_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,527   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/45_Rxn8_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,528   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/46_Rxn9_Reactant_WCPT27.xyz'
2025-06-01T03:28:18,529   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/48_Rxn2_Product_WCPT27.xyz'
2025-06-01T03:28:18,531   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/49_Rxn3_Product_WCPT27.xyz'
2025-06-01T03:28:18,532   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/51_Rxn5_Product_WCPT27.xyz'
2025-06-01T03:28:18,533   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/53_Rxn7_Product_WCPT27.xyz'
2025-06-01T03:28:18,534   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/54_Rxn8_Product_WCPT27.xyz'
2025-06-01T03:28:18,535   adding 'xcbm/MGCDB84_Dataset/Geometries/WCPT6/55_Rxn9_Product_WCPT27.xyz'
2025-06-01T03:28:18,539   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_dim_X40.xyz'
2025-06-01T03:28:18,540   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monA_X40.xyz'
2025-06-01T03:28:18,542   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3479_01methaneF2_monB_X40.xyz'
2025-06-01T03:28:18,543   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_dim_X40.xyz'
2025-06-01T03:28:18,544   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monA_X40.xyz'
2025-06-01T03:28:18,545   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3480_02methaneCl2_monB_X40.xyz'
2025-06-01T03:28:18,546   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_dim_X40.xyz'
2025-06-01T03:28:18,548   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monA_X40.xyz'
2025-06-01T03:28:18,549   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3481_03methaneBr2_monB_X40.xyz'
2025-06-01T03:28:18,551   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_dim_X40.xyz'
2025-06-01T03:28:18,552   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monA_X40.xyz'
2025-06-01T03:28:18,553   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3483_05fluoromethanemethane_monB_X40.xyz'
2025-06-01T03:28:18,555   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_dim_X40.xyz'
2025-06-01T03:28:18,556   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monA_X40.xyz'
2025-06-01T03:28:18,557   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3484_06chloromethanemethane_monB_X40.xyz'
2025-06-01T03:28:18,558   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_dim_X40.xyz'
2025-06-01T03:28:18,559   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monA_X40.xyz'
2025-06-01T03:28:18,560   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3485_07trifluoromethanemethane_monB_X40.xyz'
2025-06-01T03:28:18,561   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_dim_X40.xyz'
2025-06-01T03:28:18,563   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monA_X40.xyz'
2025-06-01T03:28:18,564   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3486_08trichloromethanemethane_monB_X40.xyz'
2025-06-01T03:28:18,565   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_dim_X40.xyz'
2025-06-01T03:28:18,566   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monA_X40.xyz'
2025-06-01T03:28:18,567   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3487_09fluoromethanedimer_monB_X40.xyz'
2025-06-01T03:28:18,568   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_dim_X40.xyz'
2025-06-01T03:28:18,570   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monA_X40.xyz'
2025-06-01T03:28:18,571   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3488_10chloromethanedimer_monB_X40.xyz'
2025-06-01T03:28:18,572   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_dim_X40.xyz'
2025-06-01T03:28:18,574   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monA_X40.xyz'
2025-06-01T03:28:18,575   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3489_11trifluorobenzenezenebenzene_monB_X40.xyz'
2025-06-01T03:28:18,576   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_dim_X40.xyz'
2025-06-01T03:28:18,577   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monA_X40.xyz'
2025-06-01T03:28:18,578   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3490_12hexafuorobenzenezenebenzene_monB_X40.xyz'
2025-06-01T03:28:18,580   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_dim_X40.xyz'
2025-06-01T03:28:18,581   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monA_X40.xyz'
2025-06-01T03:28:18,582   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3491_13chloromethaneformaldehyde_monB_X40.xyz'
2025-06-01T03:28:18,583   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_dim_X40.xyz'
2025-06-01T03:28:18,585   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monA_X40.xyz'
2025-06-01T03:28:18,586   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3492_14bromomethaneformaldehyde_monB_X40.xyz'
2025-06-01T03:28:18,587   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_dim_X40.xyz'
2025-06-01T03:28:18,588   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monA_X40.xyz'
2025-06-01T03:28:18,590   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3494_16trifluorochloromethaneformaldehyde_monB_X40.xyz'
2025-06-01T03:28:18,591   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_dim_X40.xyz'
2025-06-01T03:28:18,592   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monA_X40.xyz'
2025-06-01T03:28:18,593   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3495_17trifluorobromomethaneformaldehyde_monB_X40.xyz'
2025-06-01T03:28:18,595   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_dim_X40.xyz'
2025-06-01T03:28:18,596   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monA_X40.xyz'
2025-06-01T03:28:18,597   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3497_19chlorobenzenezeneacetone_monB_X40.xyz'
2025-06-01T03:28:18,598   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_dim_X40.xyz'
2025-06-01T03:28:18,599   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monA_X40.xyz'
2025-06-01T03:28:18,601   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3498_20bromobenzenezeneacetone_monB_X40.xyz'
2025-06-01T03:28:18,602   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_dim_X40.xyz'
2025-06-01T03:28:18,603   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monA_X40.xyz'
2025-06-01T03:28:18,604   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3500_22chlorobenzenezenetrimethylamine_monB_X40.xyz'
2025-06-01T03:28:18,605   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_dim_X40.xyz'
2025-06-01T03:28:18,607   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monA_X40.xyz'
2025-06-01T03:28:18,608   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3501_23bromobenzenezenetrimethylamine_monB_X40.xyz'
2025-06-01T03:28:18,609   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_dim_X40.xyz'
2025-06-01T03:28:18,610   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monA_X40.xyz'
2025-06-01T03:28:18,611   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3503_25bromobenzenezenemethanethiol_monB_X40.xyz'
2025-06-01T03:28:18,612   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_dim_X40.xyz'
2025-06-01T03:28:18,614   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monA_X40.xyz'
2025-06-01T03:28:18,615   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3505_27bromomethanebenzene_monB_X40.xyz'
2025-06-01T03:28:18,616   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_dim_X40.xyz'
2025-06-01T03:28:18,617   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monA_X40.xyz'
2025-06-01T03:28:18,618   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3507_29trifluorobromomethanebenzene_monB_X40.xyz'
2025-06-01T03:28:18,620   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_dim_X40.xyz'
2025-06-01T03:28:18,621   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monA_X40.xyz'
2025-06-01T03:28:18,622   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3509_31trifluoromethanolwater_monB_X40.xyz'
2025-06-01T03:28:18,623   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_dim_X40.xyz'
2025-06-01T03:28:18,625   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monA_X40.xyz'
2025-06-01T03:28:18,626   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3510_32trichloromethanolwater_monB_X40.xyz'
2025-06-01T03:28:18,627   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_dim_X40.xyz'
2025-06-01T03:28:18,628   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monA_X40.xyz'
2025-06-01T03:28:18,629   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3511_33HFmethanol_monB_X40.xyz'
2025-06-01T03:28:18,631   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_dim_X40.xyz'
2025-06-01T03:28:18,632   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monA_X40.xyz'
2025-06-01T03:28:18,633   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3512_34HClmethanol_monB_X40.xyz'
2025-06-01T03:28:18,634   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_dim_X40.xyz'
2025-06-01T03:28:18,635   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monA_X40.xyz'
2025-06-01T03:28:18,637   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3513_35HBrmethanol_monB_X40.xyz'
2025-06-01T03:28:18,638   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_dim_X40.xyz'
2025-06-01T03:28:18,639   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monA_X40.xyz'
2025-06-01T03:28:18,640   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3515_37HFmethylamine_monB_X40.xyz'
2025-06-01T03:28:18,642   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_dim_X40.xyz'
2025-06-01T03:28:18,643   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monA_X40.xyz'
2025-06-01T03:28:18,644   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3516_38HClmethylamine_monB_X40.xyz'
2025-06-01T03:28:18,645   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_dim_X40.xyz'
2025-06-01T03:28:18,646   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monA_X40.xyz'
2025-06-01T03:28:18,647   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3517_39methanolfluoromethane_monB_X40.xyz'
2025-06-01T03:28:18,648   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_dim_X40.xyz'
2025-06-01T03:28:18,650   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monA_X40.xyz'
2025-06-01T03:28:18,651   adding 'xcbm/MGCDB84_Dataset/Geometries/X40/3518_40methanolchloromethane_monB_X40.xyz'
2025-06-01T03:28:18,653   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/11_Br2_XB18.xyz'
2025-06-01T03:28:18,654   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/12_Br2NCH_XB18.xyz'
2025-06-01T03:28:18,655   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/13_Br2OCH2_XB18.xyz'
2025-06-01T03:28:18,656   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/17_ClBr_XB18.xyz'
2025-06-01T03:28:18,657   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/18_ClBrNCH_XB18.xyz'
2025-06-01T03:28:18,658   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/19_ClBrOCH2_XB18.xyz'
2025-06-01T03:28:18,660   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/23_FBr_XB18.xyz'
2025-06-01T03:28:18,661   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/24_FBrNCH_XB18.xyz'
2025-06-01T03:28:18,662   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/25_FBrOCH2_XB18.xyz'
2025-06-01T03:28:18,663   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/29_H2CO_XB18.xyz'
2025-06-01T03:28:18,664   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/30_HBr_XB18.xyz'
2025-06-01T03:28:18,666   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/31_HBrNCH_XB18.xyz'
2025-06-01T03:28:18,667   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/32_HBrOCH2_XB18.xyz'
2025-06-01T03:28:18,668   adding 'xcbm/MGCDB84_Dataset/Geometries/XB18/33_HCN_XB18.xyz'
2025-06-01T03:28:18,670   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/12_NCH_FBr_XB51.xyz'
2025-06-01T03:28:18,672   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/13_NCH_FCl_XB51.xyz'
2025-06-01T03:28:18,673   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/14_NCH_NBS_XB51.xyz'
2025-06-01T03:28:18,674   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/16_NCH_PhBr_XB51.xyz'
2025-06-01T03:28:18,675   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/19_NH3_FBr_XB51.xyz'
2025-06-01T03:28:18,676   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/20_NH3_FCl_XB51.xyz'
2025-06-01T03:28:18,678   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/21_NH3_NBS_XB51.xyz'
2025-06-01T03:28:18,679   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/23_NH3_PhBr_XB51.xyz'
2025-06-01T03:28:18,680   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/26_PCH_FBr_XB51.xyz'
2025-06-01T03:28:18,682   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/27_PCH_FCl_XB51.xyz'
2025-06-01T03:28:18,683   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/28_PCH_NBS_XB51.xyz'
2025-06-01T03:28:18,684   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/30_PCH_PhBr_XB51.xyz'
2025-06-01T03:28:18,685   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/32_BrBr_FCCH_XB51.xyz'
2025-06-01T03:28:18,686   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/33_BrBr_FMe_XB51.xyz'
2025-06-01T03:28:18,688   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/34_BrBr_HLi_XB51.xyz'
2025-06-01T03:28:18,689   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/35_BrBr_NCH_XB51.xyz'
2025-06-01T03:28:18,690   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/36_BrBr_NH3_XB51.xyz'
2025-06-01T03:28:18,691   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/37_BrBr_OCH2_XB51.xyz'
2025-06-01T03:28:18,693   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/38_BrBr_OPH3_XB51.xyz'
2025-06-01T03:28:18,694   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/39_BrBr_PCH_XB51.xyz'
2025-06-01T03:28:18,695   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/41_BrBr_pyr_XB51.xyz'
2025-06-01T03:28:18,696   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/62_BrBr_XB51.xyz'
2025-06-01T03:28:18,697   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/64_FBr_XB51.xyz'
2025-06-01T03:28:18,698   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/65_FCl_XB51.xyz'
2025-06-01T03:28:18,699   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/68_NBS_XB51.xyz'
2025-06-01T03:28:18,700   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/70_PhBr_XB51.xyz'
2025-06-01T03:28:18,702   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/72_FCCH_XB51.xyz'
2025-06-01T03:28:18,703   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/73_FMe_XB51.xyz'
2025-06-01T03:28:18,704   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/74_HLi_XB51.xyz'
2025-06-01T03:28:18,705   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/75_NCH_XB51.xyz'
2025-06-01T03:28:18,706   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/76_NH3_XB51.xyz'
2025-06-01T03:28:18,708   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/77_OCH2_XB51.xyz'
2025-06-01T03:28:18,709   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/78_OPH3_XB51.xyz'
2025-06-01T03:28:18,710   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/79_PCH_XB51.xyz'
2025-06-01T03:28:18,711   adding 'xcbm/MGCDB84_Dataset/Geometries/XB51/81_pyr_XB51.xyz'
2025-06-01T03:28:18,722   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/100_Aspartic-acid_xag_YMPJ519.xyz'
2025-06-01T03:28:18,723   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/101_Aspartic-acid_xah_YMPJ519.xyz'
2025-06-01T03:28:18,724   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/102_Aspartic-acid_xai_YMPJ519.xyz'
2025-06-01T03:28:18,726   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/103_Aspartic-acid_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,727   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/104_Aspartic-acid_xak_YMPJ519.xyz'
2025-06-01T03:28:18,728   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/105_Aspartic-acid_xal_YMPJ519.xyz'
2025-06-01T03:28:18,729   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/106_Aspartic-acid_xam_YMPJ519.xyz'
2025-06-01T03:28:18,731   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/107_Aspartic-acid_xan_YMPJ519.xyz'
2025-06-01T03:28:18,732   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/108_Aspartic-acid_xao_YMPJ519.xyz'
2025-06-01T03:28:18,733   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/109_Aspartic-acid_xap_YMPJ519.xyz'
2025-06-01T03:28:18,734   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/110_Aspartic-acid_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,736   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/111_Aspartic-acid_xar_YMPJ519.xyz'
2025-06-01T03:28:18,737   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/112_Aspartic-acid_xas_YMPJ519.xyz'
2025-06-01T03:28:18,738   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/113_Aspartic-acid_xat_YMPJ519.xyz'
2025-06-01T03:28:18,740   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/114_Aspartic-acid_xau_YMPJ519.xyz'
2025-06-01T03:28:18,741   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/115_Aspartic-acid_xav_YMPJ519.xyz'
2025-06-01T03:28:18,742   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/116_Aspartic-acid_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,743   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/117_Aspartic-acid_xax_YMPJ519.xyz'
2025-06-01T03:28:18,744   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/118_Aspartic-acid_xay_YMPJ519.xyz'
2025-06-01T03:28:18,746   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/119_Aspartic-acid_xaz_YMPJ519.xyz'
2025-06-01T03:28:18,747   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/11_Alanine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,748   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/120_Aspartic-acid_xba_YMPJ519.xyz'
2025-06-01T03:28:18,749   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/121_Aspartic-acid_xbb_YMPJ519.xyz'
2025-06-01T03:28:18,751   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/122_Aspartic-acid_xbc_YMPJ519.xyz'
2025-06-01T03:28:18,752   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/123_Aspartic-acid_xbd_YMPJ519.xyz'
2025-06-01T03:28:18,753   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/124_Aspartic-acid_xbe_YMPJ519.xyz'
2025-06-01T03:28:18,754   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/125_Aspartic-acid_xbf_YMPJ519.xyz'
2025-06-01T03:28:18,755   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/126_Aspartic-acid_xbg_YMPJ519.xyz'
2025-06-01T03:28:18,757   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/127_Aspartic-acid_xbh_YMPJ519.xyz'
2025-06-01T03:28:18,758   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/128_Aspartic-acid_xbi_YMPJ519.xyz'
2025-06-01T03:28:18,759   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/129_Aspartic-acid_xbj_YMPJ519.xyz'
2025-06-01T03:28:18,760   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/12_Alanine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,761   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/130_Aspartic-acid_xbk_YMPJ519.xyz'
2025-06-01T03:28:18,763   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/131_Cysteine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,764   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/132_Cysteine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,765   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/133_Cysteine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,766   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/134_Cysteine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,768   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/135_Cysteine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,769   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/136_Cysteine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,770   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/137_Cysteine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,771   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/138_Cysteine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,772   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/139_Cysteine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,774   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/13_Alanine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,775   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/140_Cysteine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,776   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/141_Cysteine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,777   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/142_Cysteine_xam_YMPJ519.xyz'
2025-06-01T03:28:18,779   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/143_Cysteine_xan_YMPJ519.xyz'
2025-06-01T03:28:18,780   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/144_Cysteine_xao_YMPJ519.xyz'
2025-06-01T03:28:18,781   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/145_Cysteine_xap_YMPJ519.xyz'
2025-06-01T03:28:18,782   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/146_Cysteine_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,784   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/147_Cysteine_xar_YMPJ519.xyz'
2025-06-01T03:28:18,785   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/148_Cysteine_xas_YMPJ519.xyz'
2025-06-01T03:28:18,786   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/149_Cysteine_xat_YMPJ519.xyz'
2025-06-01T03:28:18,788   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/14_Alanine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,789   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/150_Cysteine_xau_YMPJ519.xyz'
2025-06-01T03:28:18,790   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/151_Cysteine_xav_YMPJ519.xyz'
2025-06-01T03:28:18,791   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/152_Cysteine_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,793   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/153_Cysteine_xax_YMPJ519.xyz'
2025-06-01T03:28:18,794   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/154_Cysteine_xay_YMPJ519.xyz'
2025-06-01T03:28:18,795   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/155_Glutamic-acid_xab_YMPJ519.xyz'
2025-06-01T03:28:18,797   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/156_Glutamic-acid_xac_YMPJ519.xyz'
2025-06-01T03:28:18,798   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/157_Glutamic-acid_xad_YMPJ519.xyz'
2025-06-01T03:28:18,799   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/158_Glutamic-acid_xae_YMPJ519.xyz'
2025-06-01T03:28:18,801   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/159_Glutamic-acid_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,802   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/15_Alanine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,803   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/160_Glutamic-acid_xag_YMPJ519.xyz'
2025-06-01T03:28:18,804   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/161_Glutamic-acid_xah_YMPJ519.xyz'
2025-06-01T03:28:18,805   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/162_Glutamic-acid_xai_YMPJ519.xyz'
2025-06-01T03:28:18,806   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/163_Glutamic-acid_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,808   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/164_Glutamic-acid_xak_YMPJ519.xyz'
2025-06-01T03:28:18,809   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/165_Glutamic-acid_xal_YMPJ519.xyz'
2025-06-01T03:28:18,810   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/166_Glutamic-acid_xam_YMPJ519.xyz'
2025-06-01T03:28:18,812   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/167_Glutamic-acid_xan_YMPJ519.xyz'
2025-06-01T03:28:18,813   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/168_Glutamic-acid_xao_YMPJ519.xyz'
2025-06-01T03:28:18,814   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/169_Glutamic-acid_xap_YMPJ519.xyz'
2025-06-01T03:28:18,815   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/16_Alanine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,816   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/170_Glutamic-acid_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,818   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/171_Glutamic-acid_xar_YMPJ519.xyz'
2025-06-01T03:28:18,819   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/172_Glutamic-acid_xas_YMPJ519.xyz'
2025-06-01T03:28:18,820   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/173_Glutamic-acid_xat_YMPJ519.xyz'
2025-06-01T03:28:18,822   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/174_Glutamic-acid_xau_YMPJ519.xyz'
2025-06-01T03:28:18,823   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/175_Glutamic-acid_xav_YMPJ519.xyz'
2025-06-01T03:28:18,824   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/176_Glutamic-acid_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,825   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/177_Glutamic-acid_xax_YMPJ519.xyz'
2025-06-01T03:28:18,827   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/178_Glutamic-acid_xay_YMPJ519.xyz'
2025-06-01T03:28:18,828   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/179_Glutamic-acid_xaz_YMPJ519.xyz'
2025-06-01T03:28:18,829   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/17_Alanine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,831   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/180_Glutamic-acid_xba_YMPJ519.xyz'
2025-06-01T03:28:18,832   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/181_Glutamic-acid_xbb_YMPJ519.xyz'
2025-06-01T03:28:18,833   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/182_Glutamic-acid_xbc_YMPJ519.xyz'
2025-06-01T03:28:18,835   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/183_Glutamic-acid_xbd_YMPJ519.xyz'
2025-06-01T03:28:18,836   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/184_Glutamic-acid_xbe_YMPJ519.xyz'
2025-06-01T03:28:18,837   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/185_Glutamic-acid_xbf_YMPJ519.xyz'
2025-06-01T03:28:18,838   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/186_Glutamic-acid_xbg_YMPJ519.xyz'
2025-06-01T03:28:18,839   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/187_Glutamic-acid_xbh_YMPJ519.xyz'
2025-06-01T03:28:18,841   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/188_Glutamic-acid_xbi_YMPJ519.xyz'
2025-06-01T03:28:18,842   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/189_Glutamic-acid_xbj_YMPJ519.xyz'
2025-06-01T03:28:18,843   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/18_Alanine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,846   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/190_Glutamic-acid_xbk_YMPJ519.xyz'
2025-06-01T03:28:18,848   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/191_Glutamine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,849   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/192_Glutamine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,850   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/193_Glutamine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,851   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/194_Glutamine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,853   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/195_Glutamine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,854   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/196_Glutamine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,855   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/197_Glutamine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,856   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/198_Glutamine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,857   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/199_Glutamine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,859   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/19_Alanine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,860   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/200_Glutamine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,861   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/201_Glutamine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,862   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/202_Glutamine_xam_YMPJ519.xyz'
2025-06-01T03:28:18,864   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/203_Glutamine_xan_YMPJ519.xyz'
2025-06-01T03:28:18,865   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/204_Glutamine_xao_YMPJ519.xyz'
2025-06-01T03:28:18,866   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/205_Glutamine_xap_YMPJ519.xyz'
2025-06-01T03:28:18,867   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/206_Glutamine_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,869   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/207_Glutamine_xar_YMPJ519.xyz'
2025-06-01T03:28:18,870   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/208_Glutamine_xas_YMPJ519.xyz'
2025-06-01T03:28:18,871   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/209_Glutamine_xat_YMPJ519.xyz'
2025-06-01T03:28:18,872   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/20_Alanine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,874   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/210_Glutamine_xau_YMPJ519.xyz'
2025-06-01T03:28:18,875   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/211_Glutamine_xav_YMPJ519.xyz'
2025-06-01T03:28:18,876   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/212_Glycine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,877   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/213_Glycine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,879   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/214_Glycine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,880   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/215_Glycine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,881   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/216_Glycine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,883   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/217_Glycine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,884   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/218_Glycine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,885   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/219_Glycine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,887   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/21_Alanine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,888   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/220_Glycine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,889   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/221_Histidine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,891   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/222_Histidine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,892   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/223_Histidine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,893   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/224_Histidine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,894   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/225_Histidine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,896   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/226_Histidine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,897   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/227_Histidine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,898   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/228_Histidine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,900   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/229_Histidine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,901   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/22_Arginine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,902   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/230_Histidine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,903   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/231_Histidine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,905   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/232_Histidine_xam_YMPJ519.xyz'
2025-06-01T03:28:18,906   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/233_Histidine_xan_YMPJ519.xyz'
2025-06-01T03:28:18,907   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/234_Histidine_xao_YMPJ519.xyz'
2025-06-01T03:28:18,908   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/235_Histidine_xap_YMPJ519.xyz'
2025-06-01T03:28:18,909   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/236_Histidine_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,911   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/237_Histidine_xar_YMPJ519.xyz'
2025-06-01T03:28:18,912   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/238_Histidine_xas_YMPJ519.xyz'
2025-06-01T03:28:18,913   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/239_Histidine_xat_YMPJ519.xyz'
2025-06-01T03:28:18,915   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/23_Arginine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,916   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/240_Histidine_xau_YMPJ519.xyz'
2025-06-01T03:28:18,917   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/241_Histidine_xav_YMPJ519.xyz'
2025-06-01T03:28:18,918   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/242_Histidine_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,919   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/243_Histidine_xax_YMPJ519.xyz'
2025-06-01T03:28:18,921   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/244_Histidine_xay_YMPJ519.xyz'
2025-06-01T03:28:18,922   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/245_Isoleucine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,923   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/246_Isoleucine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,925   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/247_Isoleucine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,926   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/248_Isoleucine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,927   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/249_Isoleucine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,928   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/24_Arginine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,930   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/250_Isoleucine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,931   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/251_Isoleucine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,933   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/252_Isoleucine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,934   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/253_Isoleucine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,935   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/254_Isoleucine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,936   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/255_Isoleucine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,938   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/256_Isoleucine_xam_YMPJ519.xyz'
2025-06-01T03:28:18,939   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/257_Isoleucine_xan_YMPJ519.xyz'
2025-06-01T03:28:18,940   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/258_Isoleucine_xao_YMPJ519.xyz'
2025-06-01T03:28:18,942   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/259_Isoleucine_xap_YMPJ519.xyz'
2025-06-01T03:28:18,943   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/25_Arginine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,944   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/260_Isoleucine_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,945   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/261_Isoleucine_xar_YMPJ519.xyz'
2025-06-01T03:28:18,947   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/262_Isoleucine_xas_YMPJ519.xyz'
2025-06-01T03:28:18,948   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/263_Isoleucine_xat_YMPJ519.xyz'
2025-06-01T03:28:18,949   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/264_Isoleucine_xau_YMPJ519.xyz'
2025-06-01T03:28:18,950   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/265_Isoleucine_xav_YMPJ519.xyz'
2025-06-01T03:28:18,951   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/266_Isoleucine_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,953   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/267_Isoleucine_xax_YMPJ519.xyz'
2025-06-01T03:28:18,954   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/268_Isoleucine_xay_YMPJ519.xyz'
2025-06-01T03:28:18,955   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/269_Isoleucine_xaz_YMPJ519.xyz'
2025-06-01T03:28:18,956   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/26_Arginine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,957   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/270_Leucine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,959   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/271_Leucine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,960   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/272_Leucine_xad_YMPJ519.xyz'
2025-06-01T03:28:18,961   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/273_Leucine_xae_YMPJ519.xyz'
2025-06-01T03:28:18,962   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/274_Leucine_xaf_YMPJ519.xyz'
2025-06-01T03:28:18,963   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/275_Leucine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,965   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/276_Leucine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,966   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/277_Leucine_xai_YMPJ519.xyz'
2025-06-01T03:28:18,968   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/278_Leucine_xaj_YMPJ519.xyz'
2025-06-01T03:28:18,969   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/279_Leucine_xak_YMPJ519.xyz'
2025-06-01T03:28:18,970   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/27_Arginine_xag_YMPJ519.xyz'
2025-06-01T03:28:18,971   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/280_Leucine_xal_YMPJ519.xyz'
2025-06-01T03:28:18,973   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/281_Leucine_xam_YMPJ519.xyz'
2025-06-01T03:28:18,974   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/282_Leucine_xan_YMPJ519.xyz'
2025-06-01T03:28:18,975   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/283_Leucine_xao_YMPJ519.xyz'
2025-06-01T03:28:18,977   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/284_Leucine_xap_YMPJ519.xyz'
2025-06-01T03:28:18,978   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/285_Leucine_xaq_YMPJ519.xyz'
2025-06-01T03:28:18,980   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/286_Leucine_xar_YMPJ519.xyz'
2025-06-01T03:28:18,981   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/287_Leucine_xas_YMPJ519.xyz'
2025-06-01T03:28:18,982   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/288_Leucine_xat_YMPJ519.xyz'
2025-06-01T03:28:18,983   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/289_Leucine_xau_YMPJ519.xyz'
2025-06-01T03:28:18,985   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/28_Arginine_xah_YMPJ519.xyz'
2025-06-01T03:28:18,986   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/290_Leucine_xav_YMPJ519.xyz'
2025-06-01T03:28:18,987   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/291_Leucine_xaw_YMPJ519.xyz'
2025-06-01T03:28:18,989   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/292_Leucine_xax_YMPJ519.xyz'
2025-06-01T03:28:18,990   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/293_Leucine_xay_YMPJ519.xyz'
2025-06-01T03:28:18,991   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/294_Leucine_xaz_YMPJ519.xyz'
2025-06-01T03:28:18,992   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/295_Leucine_xba_YMPJ519.xyz'
2025-06-01T03:28:18,994   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/296_Leucine_xbb_YMPJ519.xyz'
2025-06-01T03:28:18,995   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/297_Leucine_xbc_YMPJ519.xyz'
2025-06-01T03:28:18,996   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/298_Lysine_xab_YMPJ519.xyz'
2025-06-01T03:28:18,998   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/299_Lysine_xac_YMPJ519.xyz'
2025-06-01T03:28:18,999   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/29_Arginine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,000   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/300_Lysine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,001   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/301_Lysine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,002   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/302_Lysine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,003   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/303_Lysine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,005   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/304_Lysine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,006   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/305_Lysine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,007   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/306_Lysine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,009   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/307_Lysine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,010   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/308_Lysine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,011   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/309_Lysine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,013   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/30_Arginine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,014   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/310_Lysine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,015   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/311_Lysine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,017   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/312_Lysine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,018   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/313_Lysine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,020   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/314_Lysine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,021   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/315_Lysine_xas_YMPJ519.xyz'
2025-06-01T03:28:19,022   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/316_Lysine_xat_YMPJ519.xyz'
2025-06-01T03:28:19,024   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/317_Lysine_xau_YMPJ519.xyz'
2025-06-01T03:28:19,026   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/318_Lysine_xav_YMPJ519.xyz'
2025-06-01T03:28:19,027   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/319_Lysine_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,028   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/31_Arginine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,030   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/320_Lysine_xax_YMPJ519.xyz'
2025-06-01T03:28:19,031   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/321_Lysine_xay_YMPJ519.xyz'
2025-06-01T03:28:19,032   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/322_Lysine_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,033   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/323_Lysine_xba_YMPJ519.xyz'
2025-06-01T03:28:19,035   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/324_Lysine_xbb_YMPJ519.xyz'
2025-06-01T03:28:19,036   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/325_Lysine_xbc_YMPJ519.xyz'
2025-06-01T03:28:19,038   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/326_Lysine_xbd_YMPJ519.xyz'
2025-06-01T03:28:19,039   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/327_Lysine_xbe_YMPJ519.xyz'
2025-06-01T03:28:19,041   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/328_Lysine_xbf_YMPJ519.xyz'
2025-06-01T03:28:19,042   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/329_Lysine_xbg_YMPJ519.xyz'
2025-06-01T03:28:19,043   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/32_Arginine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,045   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/330_Lysine_xbh_YMPJ519.xyz'
2025-06-01T03:28:19,046   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/331_Lysine_xbi_YMPJ519.xyz'
2025-06-01T03:28:19,048   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/332_Lysine_xbj_YMPJ519.xyz'
2025-06-01T03:28:19,049   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/333_Lysine_xbk_YMPJ519.xyz'
2025-06-01T03:28:19,051   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/334_Lysine_xbl_YMPJ519.xyz'
2025-06-01T03:28:19,052   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/335_Lysine_xbm_YMPJ519.xyz'
2025-06-01T03:28:19,054   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/336_Lysine_xbn_YMPJ519.xyz'
2025-06-01T03:28:19,055   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/337_Methionine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,056   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/338_Methionine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,057   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/339_Methionine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,058   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/33_Arginine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,059   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/340_Methionine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,061   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/341_Methionine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,062   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/342_Methionine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,063   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/343_Methionine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,064   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/344_Methionine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,066   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/345_Methionine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,067   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/346_Methionine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,068   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/347_Methionine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,069   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/348_Methionine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,070   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/349_Methionine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,072   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/34_Arginine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,073   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/350_Methionine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,074   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/351_Methionine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,076   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/352_Methionine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,077   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/353_Methionine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,078   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/354_Methionine_xas_YMPJ519.xyz'
2025-06-01T03:28:19,079   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/355_Methionine_xat_YMPJ519.xyz'
2025-06-01T03:28:19,081   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/356_Methionine_xau_YMPJ519.xyz'
2025-06-01T03:28:19,082   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/357_Methionine_xav_YMPJ519.xyz'
2025-06-01T03:28:19,084   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/358_Methionine_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,085   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/359_Methionine_xax_YMPJ519.xyz'
2025-06-01T03:28:19,086   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/35_Arginine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,088   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/360_Methionine_xay_YMPJ519.xyz'
2025-06-01T03:28:19,089   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/361_Methionine_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,090   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/362_Methionine_xba_YMPJ519.xyz'
2025-06-01T03:28:19,091   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/363_Methionine_xbb_YMPJ519.xyz'
2025-06-01T03:28:19,093   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/364_Methionine_xbc_YMPJ519.xyz'
2025-06-01T03:28:19,094   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/365_Methionine_xbd_YMPJ519.xyz'
2025-06-01T03:28:19,095   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/366_Methionine_xbe_YMPJ519.xyz'
2025-06-01T03:28:19,097   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/367_Methionine_xbf_YMPJ519.xyz'
2025-06-01T03:28:19,098   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/368_Methionine_xbg_YMPJ519.xyz'
2025-06-01T03:28:19,099   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/369_Methionine_xbh_YMPJ519.xyz'
2025-06-01T03:28:19,100   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/36_Arginine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,102   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/370_Methionine_xbi_YMPJ519.xyz'
2025-06-01T03:28:19,103   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/371_Methionine_xbj_YMPJ519.xyz'
2025-06-01T03:28:19,104   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/372_Methionine_xbk_YMPJ519.xyz'
2025-06-01T03:28:19,106   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/373_Methionine_xbl_YMPJ519.xyz'
2025-06-01T03:28:19,107   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/374_Methionine_xbm_YMPJ519.xyz'
2025-06-01T03:28:19,108   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/375_Methionine_xbn_YMPJ519.xyz'
2025-06-01T03:28:19,109   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/376_Methionine_xbo_YMPJ519.xyz'
2025-06-01T03:28:19,110   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/377_Methionine_xbp_YMPJ519.xyz'
2025-06-01T03:28:19,112   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/378_Methionine_xbq_YMPJ519.xyz'
2025-06-01T03:28:19,113   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/379_Methionine_xbr_YMPJ519.xyz'
2025-06-01T03:28:19,114   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/37_Arginine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,116   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/380_Methionine_xbs_YMPJ519.xyz'
2025-06-01T03:28:19,117   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/381_Methionine_xbt_YMPJ519.xyz'
2025-06-01T03:28:19,118   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/382_Methionine_xbu_YMPJ519.xyz'
2025-06-01T03:28:19,119   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/383_Methionine_xbv_YMPJ519.xyz'
2025-06-01T03:28:19,121   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/384_Methionine_xbw_YMPJ519.xyz'
2025-06-01T03:28:19,122   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/385_Methionine_xbx_YMPJ519.xyz'
2025-06-01T03:28:19,123   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/386_Methionine_xby_YMPJ519.xyz'
2025-06-01T03:28:19,124   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/387_Methionine_xbz_YMPJ519.xyz'
2025-06-01T03:28:19,126   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/388_Methionine_xca_YMPJ519.xyz'
2025-06-01T03:28:19,127   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/389_Methionine_xcb_YMPJ519.xyz'
2025-06-01T03:28:19,128   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/38_Arginine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,129   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/390_Methionine_xcc_YMPJ519.xyz'
2025-06-01T03:28:19,131   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/391_Methionine_xcd_YMPJ519.xyz'
2025-06-01T03:28:19,132   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/392_Methionine_xce_YMPJ519.xyz'
2025-06-01T03:28:19,133   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/393_Methionine_xcf_YMPJ519.xyz'
2025-06-01T03:28:19,135   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/394_Phenylalanine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,136   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/395_Phenylalanine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,137   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/396_Phenylalanine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,138   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/397_Phenylalanine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,140   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/398_Phenylalanine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,141   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/399_Phenylalanine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,143   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/39_Arginine_xas_YMPJ519.xyz'
2025-06-01T03:28:19,144   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/400_Phenylalanine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,145   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/401_Phenylalanine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,147   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/402_Phenylalanine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,148   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/403_Phenylalanine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,149   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/404_Phenylalanine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,151   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/405_Phenylalanine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,152   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/406_Phenylalanine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,153   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/407_Phenylalanine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,154   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/408_Phenylalanine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,156   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/409_Phenylalanine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,157   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/40_Arginine_xat_YMPJ519.xyz'
2025-06-01T03:28:19,158   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/410_Phenylalanine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,159   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/411_Phenylalanine_xas_YMPJ519.xyz'
2025-06-01T03:28:19,161   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/412_Phenylalanine_xat_YMPJ519.xyz'
2025-06-01T03:28:19,162   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/413_Phenylalanine_xau_YMPJ519.xyz'
2025-06-01T03:28:19,163   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/414_Phenylalanine_xav_YMPJ519.xyz'
2025-06-01T03:28:19,164   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/415_Phenylalanine_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,166   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/416_Phenylalanine_xax_YMPJ519.xyz'
2025-06-01T03:28:19,167   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/417_Phenylalanine_xay_YMPJ519.xyz'
2025-06-01T03:28:19,168   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/418_Phenylalanine_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,170   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/419_Phenylalanine_xba_YMPJ519.xyz'
2025-06-01T03:28:19,171   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/41_Arginine_xau_YMPJ519.xyz'
2025-06-01T03:28:19,172   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/420_Phenylalanine_xbb_YMPJ519.xyz'
2025-06-01T03:28:19,173   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/421_Phenylalanine_xbc_YMPJ519.xyz'
2025-06-01T03:28:19,174   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/422_Phenylalanine_xbd_YMPJ519.xyz'
2025-06-01T03:28:19,176   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/423_Phenylalanine_xbe_YMPJ519.xyz'
2025-06-01T03:28:19,177   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/424_Proline_xab_YMPJ519.xyz'
2025-06-01T03:28:19,179   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/425_Proline_xac_YMPJ519.xyz'
2025-06-01T03:28:19,180   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/426_Proline_xad_YMPJ519.xyz'
2025-06-01T03:28:19,181   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/427_Proline_xae_YMPJ519.xyz'
2025-06-01T03:28:19,182   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/428_Proline_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,184   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/429_Serine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,185   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/42_Arginine_xav_YMPJ519.xyz'
2025-06-01T03:28:19,186   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/430_Serine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,187   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/431_Serine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,189   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/432_Serine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,190   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/433_Serine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,191   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/434_Serine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,192   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/435_Serine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,194   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/436_Serine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,195   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/437_Serine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,196   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/438_Serine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,197   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/439_Serine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,199   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/43_Arginine_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,200   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/440_Serine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,201   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/441_Serine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,202   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/442_Serine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,203   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/443_Serine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,204   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/444_Serine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,206   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/445_Serine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,207   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/446_Serine_xas_YMPJ519.xyz'
2025-06-01T03:28:19,208   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/447_Serine_xat_YMPJ519.xyz'
2025-06-01T03:28:19,209   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/448_Serine_xau_YMPJ519.xyz'
2025-06-01T03:28:19,210   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/449_Serine_xav_YMPJ519.xyz'
2025-06-01T03:28:19,212   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/44_Arginine_xax_YMPJ519.xyz'
2025-06-01T03:28:19,213   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/450_Serine_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,214   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/451_Serine_xax_YMPJ519.xyz'
2025-06-01T03:28:19,215   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/452_Serine_xay_YMPJ519.xyz'
2025-06-01T03:28:19,216   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/453_Serine_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,218   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/454_Serine_xba_YMPJ519.xyz'
2025-06-01T03:28:19,219   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/455_Threonine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,220   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/456_Threonine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,221   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/457_Threonine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,222   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/458_Threonine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,224   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/459_Threonine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,225   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/45_Arginine_xay_YMPJ519.xyz'
2025-06-01T03:28:19,226   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/460_Threonine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,228   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/461_Threonine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,229   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/462_Threonine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,230   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/463_Threonine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,232   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/464_Threonine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,233   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/465_Threonine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,234   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/466_Threonine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,235   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/467_Threonine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,237   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/468_Threonine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,238   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/469_Threonine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,239   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/46_Arginine_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,241   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/470_Threonine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,242   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/471_Threonine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,243   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/472_Tryptophane_xab_YMPJ519.xyz'
2025-06-01T03:28:19,245   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/473_Tryptophane_xac_YMPJ519.xyz'
2025-06-01T03:28:19,246   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/474_Tryptophane_xad_YMPJ519.xyz'
2025-06-01T03:28:19,247   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/475_Tryptophane_xae_YMPJ519.xyz'
2025-06-01T03:28:19,249   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/476_Tryptophane_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,250   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/477_Tryptophane_xag_YMPJ519.xyz'
2025-06-01T03:28:19,251   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/478_Tryptophane_xah_YMPJ519.xyz'
2025-06-01T03:28:19,252   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/479_Tryptophane_xai_YMPJ519.xyz'
2025-06-01T03:28:19,254   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/47_Arginine_xba_YMPJ519.xyz'
2025-06-01T03:28:19,255   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/480_Tryptophane_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,256   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/481_Tryptophane_xak_YMPJ519.xyz'
2025-06-01T03:28:19,258   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/482_Tryptophane_xal_YMPJ519.xyz'
2025-06-01T03:28:19,259   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/483_Tryptophane_xam_YMPJ519.xyz'
2025-06-01T03:28:19,260   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/484_Tryptophane_xan_YMPJ519.xyz'
2025-06-01T03:28:19,262   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/485_Tryptophane_xao_YMPJ519.xyz'
2025-06-01T03:28:19,263   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/486_Tryptophane_xap_YMPJ519.xyz'
2025-06-01T03:28:19,264   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/487_Tryptophane_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,265   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/488_Tryptophane_xar_YMPJ519.xyz'
2025-06-01T03:28:19,267   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/489_Tryptophane_xas_YMPJ519.xyz'
2025-06-01T03:28:19,268   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/48_Arginine_xbb_YMPJ519.xyz'
2025-06-01T03:28:19,269   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/490_Tryptophane_xat_YMPJ519.xyz'
2025-06-01T03:28:19,271   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/491_Tryptophane_xau_YMPJ519.xyz'
2025-06-01T03:28:19,272   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/492_Tryptophane_xav_YMPJ519.xyz'
2025-06-01T03:28:19,273   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/493_Tryptophane_xaw_YMPJ519.xyz'
2025-06-01T03:28:19,275   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/494_Tryptophane_xax_YMPJ519.xyz'
2025-06-01T03:28:19,276   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/495_Tryptophane_xay_YMPJ519.xyz'
2025-06-01T03:28:19,277   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/496_Tryptophane_xaz_YMPJ519.xyz'
2025-06-01T03:28:19,279   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/497_Tryptophane_xba_YMPJ519.xyz'
2025-06-01T03:28:19,280   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/498_Tyrosine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,281   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/499_Tyrosine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,283   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/49_Arginine_xbc_YMPJ519.xyz'
2025-06-01T03:28:19,284   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/500_Tyrosine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,285   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/501_Tyrosine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,286   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/502_Tyrosine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,288   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/503_Tyrosine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,289   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/504_Tyrosine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,290   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/505_Tyrosine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,292   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/506_Tyrosine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,293   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/507_Tyrosine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,295   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/508_Tyrosine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,296   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/509_Tyrosine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,297   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/50_Arginine_xbd_YMPJ519.xyz'
2025-06-01T03:28:19,298   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/510_Tyrosine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,300   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/511_Tyrosine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,301   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/512_Tyrosine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,302   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/513_Tyrosine_xaq_YMPJ519.xyz'
2025-06-01T03:28:19,303   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/514_Tyrosine_xar_YMPJ519.xyz'
2025-06-01T03:28:19,304   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/515_Valine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,306   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/516_Valine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,307   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/517_Valine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,308   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/518_Valine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,309   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/519_Valine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,311   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/51_Arginine_xbe_YMPJ519.xyz'
2025-06-01T03:28:19,312   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/520_Valine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,313   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/521_Valine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,314   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/522_Valine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,315   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/523_Valine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,317   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/524_Valine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,318   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/525_Valine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,319   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/526_Valine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,321   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/527_Valine_xan_YMPJ519.xyz'
2025-06-01T03:28:19,322   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/528_Valine_xao_YMPJ519.xyz'
2025-06-01T03:28:19,323   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/529_Valine_xap_YMPJ519.xyz'
2025-06-01T03:28:19,325   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/52_Arginine_xbf_YMPJ519.xyz'
2025-06-01T03:28:19,326   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/53_Arginine_xbg_YMPJ519.xyz'
2025-06-01T03:28:19,327   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/54_Arginine_xbh_YMPJ519.xyz'
2025-06-01T03:28:19,328   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/55_Arginine_xbi_YMPJ519.xyz'
2025-06-01T03:28:19,330   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/56_Arginine_xbj_YMPJ519.xyz'
2025-06-01T03:28:19,331   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/57_Arginine_xbk_YMPJ519.xyz'
2025-06-01T03:28:19,333   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/58_Arginine_xbl_YMPJ519.xyz'
2025-06-01T03:28:19,334   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/59_Arginine_xbm_YMPJ519.xyz'
2025-06-01T03:28:19,335   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/60_Arginine_xbn_YMPJ519.xyz'
2025-06-01T03:28:19,337   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/61_Arginine_xbo_YMPJ519.xyz'
2025-06-01T03:28:19,338   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/62_Arginine_xbp_YMPJ519.xyz'
2025-06-01T03:28:19,339   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/63_Arginine_xbq_YMPJ519.xyz'
2025-06-01T03:28:19,341   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/64_Arginine_xbr_YMPJ519.xyz'
2025-06-01T03:28:19,342   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/65_Arginine_xbs_YMPJ519.xyz'
2025-06-01T03:28:19,343   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/66_Arginine_xbt_YMPJ519.xyz'
2025-06-01T03:28:19,345   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/67_Arginine_xbu_YMPJ519.xyz'
2025-06-01T03:28:19,346   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/68_Arginine_xbv_YMPJ519.xyz'
2025-06-01T03:28:19,347   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/69_Arginine_xbw_YMPJ519.xyz'
2025-06-01T03:28:19,349   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/70_Arginine_xbx_YMPJ519.xyz'
2025-06-01T03:28:19,350   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/71_Arginine_xby_YMPJ519.xyz'
2025-06-01T03:28:19,352   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/72_Arginine_xbz_YMPJ519.xyz'
2025-06-01T03:28:19,353   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/73_Arginine_xca_YMPJ519.xyz'
2025-06-01T03:28:19,354   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/74_Arginine_xcb_YMPJ519.xyz'
2025-06-01T03:28:19,355   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/75_Arginine_xcc_YMPJ519.xyz'
2025-06-01T03:28:19,356   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/76_Arginine_xcd_YMPJ519.xyz'
2025-06-01T03:28:19,358   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/77_Arginine_xce_YMPJ519.xyz'
2025-06-01T03:28:19,359   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/78_Arginine_xcf_YMPJ519.xyz'
2025-06-01T03:28:19,360   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/79_Arginine_xcg_YMPJ519.xyz'
2025-06-01T03:28:19,361   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/80_Arginine_xch_YMPJ519.xyz'
2025-06-01T03:28:19,363   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/81_Arginine_xci_YMPJ519.xyz'
2025-06-01T03:28:19,364   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/82_Arginine_xcj_YMPJ519.xyz'
2025-06-01T03:28:19,365   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/83_Asparagine_xab_YMPJ519.xyz'
2025-06-01T03:28:19,366   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/84_Asparagine_xac_YMPJ519.xyz'
2025-06-01T03:28:19,368   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/85_Asparagine_xad_YMPJ519.xyz'
2025-06-01T03:28:19,369   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/86_Asparagine_xae_YMPJ519.xyz'
2025-06-01T03:28:19,370   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/87_Asparagine_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,372   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/88_Asparagine_xag_YMPJ519.xyz'
2025-06-01T03:28:19,373   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/89_Asparagine_xah_YMPJ519.xyz'
2025-06-01T03:28:19,374   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/90_Asparagine_xai_YMPJ519.xyz'
2025-06-01T03:28:19,375   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/91_Asparagine_xaj_YMPJ519.xyz'
2025-06-01T03:28:19,377   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/92_Asparagine_xak_YMPJ519.xyz'
2025-06-01T03:28:19,378   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/93_Asparagine_xal_YMPJ519.xyz'
2025-06-01T03:28:19,379   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/94_Asparagine_xam_YMPJ519.xyz'
2025-06-01T03:28:19,381   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/95_Aspartic-acid_xab_YMPJ519.xyz'
2025-06-01T03:28:19,382   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/96_Aspartic-acid_xac_YMPJ519.xyz'
2025-06-01T03:28:19,383   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/97_Aspartic-acid_xad_YMPJ519.xyz'
2025-06-01T03:28:19,385   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/98_Aspartic-acid_xae_YMPJ519.xyz'
2025-06-01T03:28:19,386   adding 'xcbm/MGCDB84_Dataset/Geometries/YMPJ519/99_Aspartic-acid_xaf_YMPJ519.xyz'
2025-06-01T03:28:19,388   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/11_C4H4_Platonic24.xyz'
2025-06-01T03:28:19,389   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/12_C6H6_Platonic24.xyz'
2025-06-01T03:28:19,390   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/13_C8H8_Platonic24.xyz'
2025-06-01T03:28:19,391   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/14_C10H10_Platonic24.xyz'
2025-06-01T03:28:19,393   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/15_C12H12_Platonic24.xyz'
2025-06-01T03:28:19,394   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/16_C20H20_Platonic24.xyz'
2025-06-01T03:28:19,395   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/21_C2H6_Platonic24.xyz'
2025-06-01T03:28:19,397   adding 'xcbm/MGCDB84_Dataset/Geometries/platonicHD6/22_C4H10_Platonic24.xyz'
2025-06-01T03:28:19,408   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAB_3B-69.xyz'
2025-06-01T03:28:19,410   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimAC_3B-69.xyz'
2025-06-01T03:28:19,411   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_dimBC_3B-69.xyz'
2025-06-01T03:28:19,412   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monA_3B-69.xyz'
2025-06-01T03:28:19,413   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monB_3B-69.xyz'
2025-06-01T03:28:19,414   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_monC_3B-69.xyz'
2025-06-01T03:28:19,416   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01a_water_trim_3B-69.xyz'
2025-06-01T03:28:19,417   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAB_3B-69.xyz'
2025-06-01T03:28:19,418   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimAC_3B-69.xyz'
2025-06-01T03:28:19,419   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_dimBC_3B-69.xyz'
2025-06-01T03:28:19,420   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monA_3B-69.xyz'
2025-06-01T03:28:19,421   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monB_3B-69.xyz'
2025-06-01T03:28:19,422   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_monC_3B-69.xyz'
2025-06-01T03:28:19,424   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01b_water_trim_3B-69.xyz'
2025-06-01T03:28:19,425   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAB_3B-69.xyz'
2025-06-01T03:28:19,426   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimAC_3B-69.xyz'
2025-06-01T03:28:19,427   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_dimBC_3B-69.xyz'
2025-06-01T03:28:19,428   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monA_3B-69.xyz'
2025-06-01T03:28:19,429   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monB_3B-69.xyz'
2025-06-01T03:28:19,431   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_monC_3B-69.xyz'
2025-06-01T03:28:19,432   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/01c_water_trim_3B-69.xyz'
2025-06-01T03:28:19,433   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:19,434   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:19,435   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:19,437   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:19,438   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:19,439   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:19,440   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02a_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:19,441   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:19,443   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:19,444   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:19,446   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:19,447   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:19,448   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:19,449   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02b_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:19,450   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAB_3B-69.xyz'
2025-06-01T03:28:19,452   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimAC_3B-69.xyz'
2025-06-01T03:28:19,453   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_dimBC_3B-69.xyz'
2025-06-01T03:28:19,454   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monA_3B-69.xyz'
2025-06-01T03:28:19,455   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monB_3B-69.xyz'
2025-06-01T03:28:19,456   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_monC_3B-69.xyz'
2025-06-01T03:28:19,458   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/02c_formaldehyde_trim_3B-69.xyz'
2025-06-01T03:28:19,459   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:19,460   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:19,461   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:19,463   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:19,464   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:19,465   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:19,466   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03a_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:19,467   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:19,468   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:19,469   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:19,471   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:19,472   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:19,473   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:19,474   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03b_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:19,475   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAB_3B-69.xyz'
2025-06-01T03:28:19,476   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimAC_3B-69.xyz'
2025-06-01T03:28:19,478   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_dimBC_3B-69.xyz'
2025-06-01T03:28:19,479   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monA_3B-69.xyz'
2025-06-01T03:28:19,480   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monB_3B-69.xyz'
2025-06-01T03:28:19,481   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_monC_3B-69.xyz'
2025-06-01T03:28:19,482   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/03c_methanol_ethyne_trim_3B-69.xyz'
2025-06-01T03:28:19,484   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:19,485   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:19,486   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:19,487   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:19,488   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:19,490   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:19,491   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04a_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:19,492   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:19,494   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:19,495   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:19,496   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:19,497   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:19,498   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:19,500   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04b_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:19,501   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAB_3B-69.xyz'
2025-06-01T03:28:19,502   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimAC_3B-69.xyz'
2025-06-01T03:28:19,503   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_dimBC_3B-69.xyz'
2025-06-01T03:28:19,505   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monA_3B-69.xyz'
2025-06-01T03:28:19,506   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monB_3B-69.xyz'
2025-06-01T03:28:19,507   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_monC_3B-69.xyz'
2025-06-01T03:28:19,508   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/04c_acetonitrile_trim_3B-69.xyz'
2025-06-01T03:28:19,510   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:19,511   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:19,512   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:19,513   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:19,514   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:19,515   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:19,517   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05a_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:19,518   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:19,519   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:19,521   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:19,522   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:19,523   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:19,524   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:19,525   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05b_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:19,526   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAB_3B-69.xyz'
2025-06-01T03:28:19,528   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimAC_3B-69.xyz'
2025-06-01T03:28:19,529   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_dimBC_3B-69.xyz'
2025-06-01T03:28:19,530   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monA_3B-69.xyz'
2025-06-01T03:28:19,532   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monB_3B-69.xyz'
2025-06-01T03:28:19,533   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_monC_3B-69.xyz'
2025-06-01T03:28:19,534   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/05c_nitromethane_trim_3B-69.xyz'
2025-06-01T03:28:19,535   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,536   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,538   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,539   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,540   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,541   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,543   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06a_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,544   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,545   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,547   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,548   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,549   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,550   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,552   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06b_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,553   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,554   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,555   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,557   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,558   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,559   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,560   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/06c_acetic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,561   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,563   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,564   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,565   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,566   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,567   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,568   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07a_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,570   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,571   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,572   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,573   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,575   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,576   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,577   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07b_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,578   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,580   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,581   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,582   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,583   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,584   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,586   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/07c_oxalic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,587   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:19,588   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:19,589   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:19,591   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:19,592   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:19,594   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:19,596   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08a_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:19,597   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:19,598   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:19,599   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:19,601   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:19,602   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:19,603   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:19,604   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08b_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:19,605   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAB_3B-69.xyz'
2025-06-01T03:28:19,607   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimAC_3B-69.xyz'
2025-06-01T03:28:19,608   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_dimBC_3B-69.xyz'
2025-06-01T03:28:19,609   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monA_3B-69.xyz'
2025-06-01T03:28:19,610   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monB_3B-69.xyz'
2025-06-01T03:28:19,612   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_monC_3B-69.xyz'
2025-06-01T03:28:19,613   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/08c_vinylene_carbonate_trim_3B-69.xyz'
2025-06-01T03:28:19,614   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,615   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,617   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,618   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,619   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,620   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,622   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09a_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,623   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,624   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,626   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,627   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,628   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,629   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,631   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09b_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,632   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,633   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,634   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,636   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,637   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,638   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,640   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/09c_acetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,641   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,642   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,644   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,645   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:19,646   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:19,648   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:19,649   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10a_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:19,650   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,651   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,653   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,654   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:19,655   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:19,656   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:19,657   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10b_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:19,659   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,660   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,661   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,662   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monA_3B-69.xyz'
2025-06-01T03:28:19,663   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monB_3B-69.xyz'
2025-06-01T03:28:19,665   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_monC_3B-69.xyz'
2025-06-01T03:28:19,666   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/10c_imidazole_trim_3B-69.xyz'
2025-06-01T03:28:19,667   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,669   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,670   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,671   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:19,672   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:19,673   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:19,675   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11a_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:19,676   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,677   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,678   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,680   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:19,681   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:19,682   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:19,683   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11b_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:19,685   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,686   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,687   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,689   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monA_3B-69.xyz'
2025-06-01T03:28:19,690   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monB_3B-69.xyz'
2025-06-01T03:28:19,691   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_monC_3B-69.xyz'
2025-06-01T03:28:19,692   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/11c_isoxazole_trim_3B-69.xyz'
2025-06-01T03:28:19,694   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,695   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,696   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,697   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:19,699   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:19,700   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:19,701   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12a_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:19,702   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,704   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,705   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,706   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:19,707   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:19,708   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:19,710   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12b_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:19,711   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAB_3B-69.xyz'
2025-06-01T03:28:19,712   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimAC_3B-69.xyz'
2025-06-01T03:28:19,713   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_dimBC_3B-69.xyz'
2025-06-01T03:28:19,714   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monA_3B-69.xyz'
2025-06-01T03:28:19,716   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monB_3B-69.xyz'
2025-06-01T03:28:19,717   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_monC_3B-69.xyz'
2025-06-01T03:28:19,718   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/12c_pyrazole_trim_3B-69.xyz'
2025-06-01T03:28:19,720   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,721   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,722   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,723   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monA_3B-69.xyz'
2025-06-01T03:28:19,724   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monB_3B-69.xyz'
2025-06-01T03:28:19,726   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_monC_3B-69.xyz'
2025-06-01T03:28:19,727   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13a_triazine_trim_3B-69.xyz'
2025-06-01T03:28:19,728   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,729   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,730   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,732   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monA_3B-69.xyz'
2025-06-01T03:28:19,733   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monB_3B-69.xyz'
2025-06-01T03:28:19,734   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_monC_3B-69.xyz'
2025-06-01T03:28:19,735   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13b_triazine_trim_3B-69.xyz'
2025-06-01T03:28:19,736   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,738   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,739   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,740   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monA_3B-69.xyz'
2025-06-01T03:28:19,741   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monB_3B-69.xyz'
2025-06-01T03:28:19,742   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_monC_3B-69.xyz'
2025-06-01T03:28:19,744   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/13c_triazine_trim_3B-69.xyz'
2025-06-01T03:28:19,745   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,746   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,747   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,748   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,750   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,751   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,752   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14a_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,753   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,754   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,756   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,757   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,758   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,759   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,760   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14b_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,761   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAB_3B-69.xyz'
2025-06-01T03:28:19,763   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimAC_3B-69.xyz'
2025-06-01T03:28:19,764   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_dimBC_3B-69.xyz'
2025-06-01T03:28:19,765   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monA_3B-69.xyz'
2025-06-01T03:28:19,766   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monB_3B-69.xyz'
2025-06-01T03:28:19,767   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_monC_3B-69.xyz'
2025-06-01T03:28:19,768   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/14c_cyanoacetamide_trim_3B-69.xyz'
2025-06-01T03:28:19,770   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,771   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,772   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,773   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:19,774   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:19,775   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:19,777   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15a_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:19,778   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,779   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,780   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,781   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:19,783   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:19,784   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:19,785   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15b_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:19,786   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAB_3B-69.xyz'
2025-06-01T03:28:19,788   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimAC_3B-69.xyz'
2025-06-01T03:28:19,789   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_dimBC_3B-69.xyz'
2025-06-01T03:28:19,790   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monA_3B-69.xyz'
2025-06-01T03:28:19,791   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monB_3B-69.xyz'
2025-06-01T03:28:19,792   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_monC_3B-69.xyz'
2025-06-01T03:28:19,794   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/15c_cyanoguanidine_trim_3B-69.xyz'
2025-06-01T03:28:19,795   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:19,796   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:19,797   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:19,798   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:19,799   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:19,801   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:19,802   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16a_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:19,803   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:19,804   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:19,805   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:19,806   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:19,808   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:19,809   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:19,810   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16b_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:19,811   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAB_3B-69.xyz'
2025-06-01T03:28:19,812   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimAC_3B-69.xyz'
2025-06-01T03:28:19,813   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_dimBC_3B-69.xyz'
2025-06-01T03:28:19,815   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monA_3B-69.xyz'
2025-06-01T03:28:19,816   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monB_3B-69.xyz'
2025-06-01T03:28:19,817   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_monC_3B-69.xyz'
2025-06-01T03:28:19,818   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/16c_triazolidinedione_trim_3B-69.xyz'
2025-06-01T03:28:19,819   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,821   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,822   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,823   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:19,824   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:19,825   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:19,826   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17a_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:19,828   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,829   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,830   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,831   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:19,833   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:19,834   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:19,835   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17b_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:19,836   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,837   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,839   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,840   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monA_3B-69.xyz'
2025-06-01T03:28:19,841   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monB_3B-69.xyz'
2025-06-01T03:28:19,842   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_monC_3B-69.xyz'
2025-06-01T03:28:19,843   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/17c_oxazolidinone_trim_3B-69.xyz'
2025-06-01T03:28:19,845   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:19,846   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:19,847   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:19,848   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:19,849   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:19,850   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:19,852   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18a_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:19,853   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:19,854   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:19,855   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:19,856   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:19,858   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:19,859   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:19,860   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18b_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:19,861   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAB_3B-69.xyz'
2025-06-01T03:28:19,862   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimAC_3B-69.xyz'
2025-06-01T03:28:19,863   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_dimBC_3B-69.xyz'
2025-06-01T03:28:19,865   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monA_3B-69.xyz'
2025-06-01T03:28:19,866   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monB_3B-69.xyz'
2025-06-01T03:28:19,867   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_monC_3B-69.xyz'
2025-06-01T03:28:19,868   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/18c_succinic_anhydride_trim_3B-69.xyz'
2025-06-01T03:28:19,869   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:19,871   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:19,872   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:19,873   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monA_3B-69.xyz'
2025-06-01T03:28:19,874   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monB_3B-69.xyz'
2025-06-01T03:28:19,875   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_monC_3B-69.xyz'
2025-06-01T03:28:19,877   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19a_benzene_trim_3B-69.xyz'
2025-06-01T03:28:19,878   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:19,879   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:19,880   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:19,882   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monA_3B-69.xyz'
2025-06-01T03:28:19,883   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monB_3B-69.xyz'
2025-06-01T03:28:19,884   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_monC_3B-69.xyz'
2025-06-01T03:28:19,885   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19b_benzene_trim_3B-69.xyz'
2025-06-01T03:28:19,886   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAB_3B-69.xyz'
2025-06-01T03:28:19,888   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimAC_3B-69.xyz'
2025-06-01T03:28:19,889   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_dimBC_3B-69.xyz'
2025-06-01T03:28:19,890   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monA_3B-69.xyz'
2025-06-01T03:28:19,891   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monB_3B-69.xyz'
2025-06-01T03:28:19,892   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_monC_3B-69.xyz'
2025-06-01T03:28:19,893   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/19c_benzene_trim_3B-69.xyz'
2025-06-01T03:28:19,894   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,896   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,897   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,898   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,899   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,900   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,902   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20a_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,903   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,904   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,905   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,906   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,908   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,909   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,910   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20b_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,911   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAB_3B-69.xyz'
2025-06-01T03:28:19,912   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimAC_3B-69.xyz'
2025-06-01T03:28:19,913   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_dimBC_3B-69.xyz'
2025-06-01T03:28:19,915   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monA_3B-69.xyz'
2025-06-01T03:28:19,916   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monB_3B-69.xyz'
2025-06-01T03:28:19,917   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_monC_3B-69.xyz'
2025-06-01T03:28:19,918   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/20c_maleic_acid_trim_3B-69.xyz'
2025-06-01T03:28:19,919   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,921   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,922   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,923   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:19,924   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:19,926   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:19,927   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21a_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:19,928   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,929   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,931   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,932   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:19,933   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:19,934   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:19,935   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21b_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:19,936   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAB_3B-69.xyz'
2025-06-01T03:28:19,938   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimAC_3B-69.xyz'
2025-06-01T03:28:19,939   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_dimBC_3B-69.xyz'
2025-06-01T03:28:19,940   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monA_3B-69.xyz'
2025-06-01T03:28:19,941   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monB_3B-69.xyz'
2025-06-01T03:28:19,942   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_monC_3B-69.xyz'
2025-06-01T03:28:19,943   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/21c_p-benzoquinone_trim_3B-69.xyz'
2025-06-01T03:28:19,945   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:19,946   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:19,947   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:19,948   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monA_3B-69.xyz'
2025-06-01T03:28:19,950   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monB_3B-69.xyz'
2025-06-01T03:28:19,951   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_monC_3B-69.xyz'
2025-06-01T03:28:19,952   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22a_uracil_trim_3B-69.xyz'
2025-06-01T03:28:19,953   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:19,954   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:19,955   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:19,957   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monA_3B-69.xyz'
2025-06-01T03:28:19,958   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monB_3B-69.xyz'
2025-06-01T03:28:19,959   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_monC_3B-69.xyz'
2025-06-01T03:28:19,960   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22b_uracil_trim_3B-69.xyz'
2025-06-01T03:28:19,962   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAB_3B-69.xyz'
2025-06-01T03:28:19,963   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimAC_3B-69.xyz'
2025-06-01T03:28:19,964   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_dimBC_3B-69.xyz'
2025-06-01T03:28:19,965   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monA_3B-69.xyz'
2025-06-01T03:28:19,966   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monB_3B-69.xyz'
2025-06-01T03:28:19,968   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_monC_3B-69.xyz'
2025-06-01T03:28:19,969   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/22c_uracil_trim_3B-69.xyz'
2025-06-01T03:28:19,970   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:19,971   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:19,973   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:19,974   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:19,975   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:19,976   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:19,977   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23a_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:19,979   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:19,980   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:19,981   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:19,983   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:19,984   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:19,985   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:19,986   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23b_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:19,987   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAB_3B-69.xyz'
2025-06-01T03:28:19,988   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimAC_3B-69.xyz'
2025-06-01T03:28:19,990   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_dimBC_3B-69.xyz'
2025-06-01T03:28:19,991   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monA_3B-69.xyz'
2025-06-01T03:28:19,992   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monB_3B-69.xyz'
2025-06-01T03:28:19,993   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_monC_3B-69.xyz'
2025-06-01T03:28:19,994   adding 'xcbm/MGCDB84_Dataset/Geometries/rough/23c_cyclobutylfuran_trim_3B-69.xyz'
2025-06-01T03:28:19,998   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/20C24.dat'
2025-06-01T03:28:20,001   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-DIM.dat'
2025-06-01T03:28:20,002   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/3B-69-TRIM.dat'
2025-06-01T03:28:20,005   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A21x12.dat'
2025-06-01T03:28:20,007   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/A24.dat'
2025-06-01T03:28:20,008   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ACONF.dat'
2025-06-01T03:28:20,009   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AE18.dat'
2025-06-01T03:28:20,010   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkAtom19.dat'
2025-06-01T03:28:20,012   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkBind12.dat'
2025-06-01T03:28:20,013   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsod14.dat'
2025-06-01T03:28:20,014   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/AlkIsomer11.dat'
2025-06-01T03:28:20,016   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BDE99.dat'
2025-06-01T03:28:20,017   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BH76RC.dat'
2025-06-01T03:28:20,019   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BHPERI26.dat'
2025-06-01T03:28:20,020   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BSR36.dat'
2025-06-01T03:28:20,021   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Bauza30.dat'
2025-06-01T03:28:20,023   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Butanediol65.dat'
2025-06-01T03:28:20,025   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/BzDC215.dat'
2025-06-01T03:28:20,026   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CE20.dat'
2025-06-01T03:28:20,028   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CO2Nitrogen16.dat'
2025-06-01T03:28:20,029   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CR20.dat'
2025-06-01T03:28:20,030   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CRBH20.dat'
2025-06-01T03:28:20,032   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CT20.dat'
2025-06-01T03:28:20,033   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/CYCONF.dat'
2025-06-01T03:28:20,034   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DBH24.dat'
2025-06-01T03:28:20,035   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DIE60.dat'
2025-06-01T03:28:20,037   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/DS14.dat'
2025-06-01T03:28:20,038   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EA13.dat'
2025-06-01T03:28:20,039   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/EIE22.dat'
2025-06-01T03:28:20,040   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/FmH2O10.dat'
2025-06-01T03:28:20,042   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21EA.dat'
2025-06-01T03:28:20,043   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/G21IP.dat'
2025-06-01T03:28:20,044   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O16Rel5.dat'
2025-06-01T03:28:20,046   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind10.dat'
2025-06-01T03:28:20,047   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Bind4.dat'
2025-06-01T03:28:20,048   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel10.dat'
2025-06-01T03:28:20,050   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O20Rel4.dat'
2025-06-01T03:28:20,051   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/H2O6Bind8.dat'
2025-06-01T03:28:20,057   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HAT707.dat'
2025-06-01T03:28:20,059   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB15.dat'
2025-06-01T03:28:20,060   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HB49.dat'
2025-06-01T03:28:20,061   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HNBrBDE18.dat'
2025-06-01T03:28:20,063   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HSG.dat'
2025-06-01T03:28:20,064   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HTBH38.dat'
2025-06-01T03:28:20,065   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW30.dat'
2025-06-01T03:28:20,066   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6Cl.dat'
2025-06-01T03:28:20,068   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/HW6F.dat'
2025-06-01T03:28:20,069   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/IP13.dat'
2025-06-01T03:28:20,070   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/ISOMERIZATION20.dat'
2025-06-01T03:28:20,072   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Ionic43.dat'
2025-06-01T03:28:20,073   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Melatonin52.dat'
2025-06-01T03:28:20,076   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBC10.dat'
2025-06-01T03:28:20,077   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NBPRC.dat'
2025-06-01T03:28:20,078   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NC15.dat'
2025-06-01T03:28:20,079   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/NHTBH38.dat'
2025-06-01T03:28:20,081   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PX13.dat'
2025-06-01T03:28:20,082   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Pentane14.dat'
2025-06-01T03:28:20,083   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicHD6.dat'
2025-06-01T03:28:20,084   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicIG6.dat'
2025-06-01T03:28:20,085   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/PlatonicTAE6.dat'
2025-06-01T03:28:20,090   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/RG10.dat'
2025-06-01T03:28:20,092   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S22.dat'
2025-06-01T03:28:20,098   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/S66x8.dat'
2025-06-01T03:28:20,100   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SN13.dat'
2025-06-01T03:28:20,101   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Bind345.dat'
2025-06-01T03:28:20,102   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel345.dat'
2025-06-01T03:28:20,103   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/SW49Rel6.dat'
2025-06-01T03:28:20,105   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Shields38.dat'
2025-06-01T03:28:20,106   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/Styrene45.dat'
2025-06-01T03:28:20,107   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TA13.dat'
2025-06-01T03:28:20,109   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/TAE140.dat'
2025-06-01T03:28:20,111   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WATER27.dat'
2025-06-01T03:28:20,112   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT27.dat'
2025-06-01T03:28:20,113   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/WCPT6.dat'
2025-06-01T03:28:20,115   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/X40.dat'
2025-06-01T03:28:20,116   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB18.dat'
2025-06-01T03:28:20,117   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/XB51.dat'
2025-06-01T03:28:20,122   adding 'xcbm/MGCDB84_Dataset/Reaction_Energy/YMPJ519.dat'
2025-06-01T03:28:20,126   adding 'xcbm-0.1.3.dist-info/licenses/LICENSE'
2025-06-01T03:28:20,127   adding 'xcbm-0.1.3.dist-info/METADATA'
2025-06-01T03:28:20,129   adding 'xcbm-0.1.3.dist-info/WHEEL'
2025-06-01T03:28:20,130   adding 'xcbm-0.1.3.dist-info/top_level.txt'
2025-06-01T03:28:20,253   adding 'xcbm-0.1.3.dist-info/RECORD'
2025-06-01T03:28:20,379   removing build/bdist.linux-armv7l/wheel
2025-06-01T03:28:22,123   Building wheel for xcbm (pyproject.toml): finished with status 'done'
2025-06-01T03:28:22,218   Created wheel for xcbm: filename=xcbm-0.1.3-py3-none-any.whl size=3490676 sha256=fc412e62b12fae4c046cb0fe235cd4c1813cadefbce4d2b2f4c6db2d2962b8e8
2025-06-01T03:28:22,220   Stored in directory: /tmp/pip-ephem-wheel-cache-kb0st3qv/wheels/ea/27/44/c933a1b0be7e36a17c00ed7f48f6d9c32b20076469770700f2
2025-06-01T03:28:22,446 Successfully built xcbm
2025-06-01T03:28:22,562 Removed build tracker: '/tmp/pip-build-tracker-80xy11vf'